[
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        "identifier": {
            "cas": "74-98-6",
            "name": "propane",
            "iupac_name": "propane",
            "smiles": "CCC",
            "inchi": "InChI=1/C3H8/c1-3-2/h3H2,1-2H3",
            "formula": "C3H8"
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                "CH2",
                "CH3"
            ]
        }
    },
    {
        "identifier": {
            "cas": "106-97-8",
            "name": "butane",
            "iupac_name": "butane",
            "smiles": "CCCC",
            "inchi": "InChI=1/C4H10/c1-3-4-2/h3-4H2,1-2H3",
            "formula": "C4H10"
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                "CH3",
                "CH2",
                "CH2",
                "CH3"
            ]
        }
    },
    {
        "identifier": {
            "cas": "74-82-8",
            "name": "methane",
            "iupac_name": "methane",
            "smiles": "C",
            "inchi": "InChI=1/CH4/h1H4",
            "formula": "CH4"
        },
        "model_record": {
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        "molarweight": 16.0426
    },
    {
        "identifier": {
            "cas": "124-38-9",
            "name": "carbon-dioxide",
            "iupac_name": "carbon dioxide",
            "smiles": "O=C=O",
            "inchi": "InChI=1/CO2/c2-1-3",
            "formula": "CO2"
        },
        "molarweight": 44.0098,
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            "q": 4.4
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    },
    {
        "identifier": {
            "cas": "7732-18-5",
            "name": "water_np",
            "iupac_name": "oxidane",
            "smiles": "O",
            "inchi": "InChI=1/H2O/h1H2",
            "formula": "H2O"
        },
        "model_record": {
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            "sigma": 3.000683,
            "epsilon_k": 366.5121,
            "kappa_ab": 0.034867983,
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            "na": 1.0,
            "nb": 1.0
        },
        "molarweight": 18.0152
    },
    {
        "identifier": {
            "cas": "110-54-3",
            "name": "hexane",
            "iupac_name": "hexane",
            "smiles": "CCCCCC",
            "inchi": "InChI=1/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3",
            "formula": "C6H14"
        },
        "model_record": {
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            "sigma": 3.7983,
            "epsilon_k": 236.77
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        "chemical_record": {
            "segments": [
                "CH3",
                "CH2",
                "CH2",
                "CH2",
                "CH2",
                "CH3"
            ]
        },
        "molarweight": 86.177
    }
]