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    "identifier": {
      "cas": "74-82-8",
      "name": "methane",
      "iupac_name": "methane",
      "smiles": "C",
      "inchi": "InChI=1S/CH4/h1H4"
    },
    "molarweight": 16.031,
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      "m": 1.0,
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      "epsilon_k": 153.36,
      "lr": 12.65,
      "la": 6.0
    }
  },
  {
    "identifier": {
      "cas": "74-84-0",
      "name": "ethane",
      "iupac_name": "ethane",
      "smiles": "CC",
      "inchi": "InChI=1S/C2H6/c1-2/h1-2H3"
    },
    "molarweight": 30.047,
    "model_record": {
      "m": 1.4373,
      "sigma": 3.7257,
      "epsilon_k": 206.12,
      "lr": 12.4,
      "la": 6.0
    }
  },
  {
    "identifier": {
      "cas": "74-98-6",
      "name": "propane",
      "iupac_name": "propane",
      "smiles": "CCC",
      "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3"
    },
    "molarweight": 44.063,
    "model_record": {
      "m": 1.6845,
      "sigma": 3.9056,
      "epsilon_k": 239.89,
      "lr": 13.006,
      "la": 6.0
    }
  },
  {
    "identifier": {
      "cas": "106-97-8",
      "name": "n-butane",
      "iupac_name": "butane",
      "smiles": "CCCC",
      "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3"
    },
    "molarweight": 58.078,
    "model_record": {
      "m": 1.8514,
      "sigma": 4.0887,
      "epsilon_k": 273.64,
      "lr": 13.65,
      "la": 6.0
    }
  },
  {
    "identifier": {
      "cas": "109-66-0",
      "name": "pentane",
      "iupac_name": "pentane",
      "smiles": "CCCCC",
      "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3"
    },
    "molarweight": 72.094,
    "model_record": {
      "m": 1.9606,
      "sigma": 4.2928,
      "epsilon_k": 321.94,
      "lr": 15.847,
      "la": 6.0
    }
  },
  {
    "identifier": {
      "cas": "110-54-3",
      "name": "hexane",
      "iupac_name": "hexane",
      "smiles": "CCCCCC",
      "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3"
    },
    "molarweight": 86.11,
    "model_record": {
      "m": 2.1097,
      "sigma": 4.423,
      "epsilon_k": 354.38,
      "lr": 17.203,
      "la": 6.0
    }
  },
  {
    "identifier": {
      "cas": "142-82-5",
      "name": "heptane",
      "iupac_name": "heptane",
      "smiles": "CCCCCCC",
      "inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3"
    },
    "molarweight": 100.125,
    "model_record": {
      "m": 2.3949,
      "sigma": 4.4282,
      "epsilon_k": 358.51,
      "lr": 17.092,
      "la": 6.0
    }
  },
  {
    "identifier": {
      "cas": "111-65-9",
      "name": "octane",
      "iupac_name": "octane",
      "smiles": "CCCCCCCC",
      "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3"
    },
    "molarweight": 114.141,
    "model_record": {
      "m": 2.6253,
      "sigma": 4.4696,
      "epsilon_k": 369.18,
      "lr": 17.378,
      "la": 6.0
    }
  },
  {
    "identifier": {
      "cas": "111-84-2",
      "name": "nonane",
      "iupac_name": "nonane",
      "smiles": "CCCCCCCCC",
      "inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3"
    },
    "molarweight": 128.157,
    "model_record": {
      "m": 2.8099,
      "sigma": 4.5334,
      "epsilon_k": 387.55,
      "lr": 18.324,
      "la": 6.0
    }
  },
  {
    "identifier": {
      "cas": "124-18-5",
      "name": "decane",
      "iupac_name": "decane",
      "smiles": "CCCCCCCCCC",
      "inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3"
    },
    "molarweight": 142.172,
    "model_record": {
      "m": 2.9976,
      "sigma": 4.589,
      "epsilon_k": 400.79,
      "lr": 18.885,
      "la": 6.0
    }
  },
  {
    "identifier": {
      "cas": "112-40-3",
      "name": "dodecane",
      "iupac_name": "dodecane",
      "smiles": "CCCCCCCCCCCC",
      "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3"
    },
    "molarweight": 170.203,
    "model_record": {
      "m": 3.2519,
      "sigma": 4.7484,
      "epsilon_k": 437.72,
      "lr": 20.862,
      "la": 6.0
    }
  },
  {
    "identifier": {
      "cas": "629-62-9",
      "name": "pentadecane",
      "iupac_name": "pentadecane",
      "smiles": "CCCCCCCCCCCCCCC",
      "inchi": "InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3"
    },
    "molarweight": 212.25,
    "model_record": {
      "m": 3.9325,
      "sigma": 4.7738,
      "epsilon_k": 444.51,
      "lr": 20.822,
      "la": 6.0
    }
  },
  {
    "identifier": {
      "cas": "112-95-8",
      "name": "eicosane",
      "iupac_name": "icosane",
      "smiles": "CCCCCCCCCCCCCCCCCCCC",
      "inchi": "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3"
    },
    "molarweight": 282.329,
    "model_record": {
      "m": 4.8794,
      "sigma": 4.8788,
      "epsilon_k": 475.76,
      "lr": 22.926,
      "la": 6.0
    }
  },
  {
    "identifier": {
      "cas": "67-56-1",
      "name": "methanol",
      "iupac_name": "methanol",
      "smiles": "CO",
      "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3"
    },
    "molarweight": 32.026,
    "model_record": {
      "m": 1.5283,
      "sigma": 3.3063,
      "epsilon_k": 167.72,
      "lr": 8.6556,
      "la": 6.0,
      "rc_ab": 0.41314,
      "epsilon_k_ab": 2904.7,
      "na": 1.0,
      "nb": 1.0
    }
  },
  {
    "identifier": {
      "cas": "64-17-5",
      "name": "ethanol",
      "iupac_name": "ethanol",
      "smiles": "CCO",
      "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3"
    },
    "molarweight": 46.042,
    "model_record": {
      "m": 1.96,
      "sigma": 3.4914,
      "epsilon_k": 168.15,
      "lr": 7.6134,
      "la": 6.0,
      "rc_ab": 0.34558,
      "epsilon_k_ab": 2833.7,
      "na": 1.0,
      "nb": 1.0
    }
  },
  {
    "identifier": {
      "cas": "71-23-8",
      "name": "1-propanol",
      "iupac_name": "propan-1-ol",
      "smiles": "CCCO",
      "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3"
    },
    "molarweight": 60.058,
    "model_record": {
      "m": 2.3356,
      "sigma": 3.5612,
      "epsilon_k": 227.66,
      "lr": 10.179,
      "la": 6.0,
      "rc_ab": 0.35377,
      "epsilon_k_ab": 2746.2,
      "na": 1.0,
      "nb": 1.0
    }
  },
  {
    "identifier": {
      "cas": "71-36-3",
      "name": "1-butanol",
      "iupac_name": "butan-1-ol",
      "smiles": "CCCCO",
      "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3"
    },
    "molarweight": 74.073,
    "model_record": {
      "m": 2.4377,
      "sigma": 3.7856,
      "epsilon_k": 278.92,
      "lr": 11.66,
      "la": 6.0,
      "rc_ab": 0.32449,
      "epsilon_k_ab": 2728.1,
      "na": 1.0,
      "nb": 1.0
    }
  },
  {
    "identifier": {
      "cas": "75-73-0",
      "name": "tetrafluoromethane [r14]",
      "iupac_name": "tetrafluoromethane",
      "smiles": "FC(F)(F)F",
      "inchi": "InChI=1S/CF4/c2-1(3,4)5"
    },
    "molarweight": 87.994,
    "model_record": {
      "m": 1.0,
      "sigma": 4.3372,
      "epsilon_k": 232.62,
      "lr": 42.553,
      "la": 5.1906
    }
  },
  {
    "identifier": {
      "cas": "76-16-4",
      "name": "hexafluoroethane [r116]",
      "iupac_name": "1,1,1,2,2,2-hexafluoroethane",
      "smiles": "FC(F)(F)C(F)(F)F",
      "inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8"
    },
    "molarweight": 137.99,
    "model_record": {
      "m": 1.8529,
      "sigma": 3.9336,
      "epsilon_k": 211.46,
      "lr": 19.192,
      "la": 5.7506
    }
  },
  {
    "identifier": {
      "cas": "76-19-7",
      "name": "perfluoropropane [r218]",
      "iupac_name": "1,1,1,2,2,3,3,3-octafluoropropane",
      "smiles": "FC(F)(F)C(F)(F)C(F)(F)F",
      "inchi": "InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11"
    },
    "molarweight": 187.987,
    "model_record": {
      "m": 1.9401,
      "sigma": 4.2983,
      "epsilon_k": 263.26,
      "lr": 22.627,
      "la": 5.7506
    }
  },
  {
    "identifier": {
      "cas": "355-25-9",
      "name": "perfluorobutane",
      "iupac_name": "1,1,1,2,2,3,3,4,4,4-decafluorobutane",
      "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F",
      "inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14"
    },
    "molarweight": 237.984,
    "model_record": {
      "m": 2.1983,
      "sigma": 4.4495,
      "epsilon_k": 290.49,
      "lr": 24.761,
      "la": 5.7506
    }
  },
  {
    "identifier": {
      "cas": "678-26-2",
      "name": "perfluoropentane",
      "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane",
      "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F",
      "inchi": "InChI=1S/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17"
    },
    "molarweight": 287.981,
    "model_record": {
      "m": 2.3783,
      "sigma": 4.6132,
      "epsilon_k": 328.56,
      "lr": 29.75,
      "la": 5.7506
    }
  },
  {
    "identifier": {
      "cas": "355-42-0",
      "name": "perfluorohexane",
      "iupac_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane",
      "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F",
      "inchi": "InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20"
    },
    "molarweight": 337.978,
    "model_record": {
      "m": 2.5202,
      "sigma": 4.7885,
      "epsilon_k": 349.3,
      "lr": 30.741,
      "la": 5.7506
    }
  },
  {
    "identifier": {
      "cas": "7782-41-4",
      "name": "fluorine",
      "iupac_name": "molecular fluorine",
      "smiles": "FF",
      "inchi": "InChI=1S/F2/c1-2"
    },
    "molarweight": 37.997,
    "model_record": {
      "m": 1.3211,
      "sigma": 2.9554,
      "epsilon_k": 96.268,
      "lr": 11.606,
      "la": 6.0
    }
  },
  {
    "identifier": {
      "cas": "124-38-9",
      "name": "carbon dioxide",
      "iupac_name": "carbon dioxide",
      "smiles": "O=C=O",
      "inchi": "InChI=1S/CO2/c2-1-3"
    },
    "molarweight": 43.99,
    "model_record": {
      "m": 1.5,
      "sigma": 3.1916,
      "epsilon_k": 231.88,
      "lr": 27.557,
      "la": 5.1646
    }
  },
  {
    "identifier": {
      "cas": "71-43-2",
      "name": "benzene",
      "iupac_name": "benzene",
      "smiles": "c1ccccc1",
      "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H"
    },
    "molarweight": 78.047,
    "model_record": {
      "m": 1.9163,
      "sigma": 4.0549,
      "epsilon_k": 372.59,
      "lr": 14.798,
      "la": 6.0
    }
  },
  {
    "identifier": {
      "cas": "108-88-3",
      "name": "toluene",
      "iupac_name": "toluene",
      "smiles": "Cc1ccccc1",
      "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3"
    },
    "molarweight": 92.063,
    "model_record": {
      "m": 1.9977,
      "sigma": 4.2777,
      "epsilon_k": 409.73,
      "lr": 16.334,
      "la": 6.0
    }
  }
]