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  "INFO": {
    "2DPNG_URL": "http://www.chemspider.com/ImagesHandler.ashx?id=349",
    "ALIASES": [
      "nOctane",
      "Octane",
      "OCTANE",
      "N-OCTANE",
      "NC8H18",
      "n-C8H18"
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    "CAS": "111-65-9",
    "CHEMSPIDER_ID": 349,
    "ENVIRONMENTAL": {
      "ASHRAE34": "UNKNOWN",
      "FH": 3,
      "GWP100": -1.0,
      "GWP20": -1.0,
      "GWP500": -1.0,
      "HH": 2,
      "Name": "n-Octane",
      "ODP": -1.0,
      "PH": 0
    },
    "FORMULA": "C_{8}H_{18}",
    "INCHI_KEY": "TVMXDCGIABBOFY-UHFFFAOYSA-N",
    "INCHI_STRING": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3",
    "NAME": "n-Octane",
    "REFPROP_NAME": "OCTANE",
    "SMILES": "CCCCCCCC"
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        "type": "modified_Batschinski_Hildebrand"
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      "initial_density": {
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      "sigma_eta": 6.3617e-10,
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}