2,3,3,4-tetramethylpentane.json

{
    "LibraryIndex": {
        "name": "Index",
        "value": [
            54.0
        ]
    },
    "CompoundID": {
        "name": "Name",
        "value": [
            "2,3,3,4-tetramethylpentane"
        ]
    },
    "StructureFormula": {
        "name": "Structure",
        "value": [
            "(CH3)2CHC(CH3)2CH(CH3)2"
        ]
    },
    "Family": {
        "name": "Family",
        "value": [
            4.0
        ]
    },
    "CriticalTemperature": {
        "name": "Critical temperature",
        "units": "K",
        "value": [
            607.1
        ]
    },
    "CriticalPressure": {
        "name": "Critical pressure",
        "units": "Pa",
        "value": [
            2670000.0
        ]
    },
    "CriticalVolume": {
        "name": "Critical volume",
        "units": "m3/kmol",
        "value": [
            0.493
        ]
    },
    "CriticalCompressibility": {
        "name": "Critical compressibility factor",
        "units": "_",
        "value": [
            0.261
        ]
    },
    "NormalBoilingPointTemperature": {
        "name": "Normal boiling point",
        "units": "K",
        "value": [
            414.71
        ]
    },
    "NormalMeltingPointTemperature": {
        "name": "Melting point",
        "units": "K",
        "value": [
            171.05
        ]
    },
    "TriplePointTemperature": {
        "name": "Triple point temperature",
        "units": "K",
        "value": [
            171.03
        ]
    },
    "TriplePointPressure": {
        "name": "Triple point pressure",
        "units": "Pa",
        "value": [
            0.00089642
        ]
    },
    "MolecularWeight": {
        "name": "Molecular weight",
        "units": "kg/kmol",
        "value": [
            128.2551
        ]
    },
    "LiquidVolumeAtNormalBoilingPoint": {
        "name": "Liquid molar volume at normal boiling point",
        "units": "m3/kmol",
        "value": [
            0.17076
        ]
    },
    "AcentricityFactor": {
        "name": "Acentric factor",
        "units": "_",
        "value": [
            0.313
        ]
    },
    "RadiusOfGyration": {
        "name": "Radius of gyration",
        "units": "m",
        "value": [
            4.2e-10
        ]
    },
    "SolubilityParameter": {
        "name": "Solubility parameter",
        "units": "J0.5/m1.5",
        "value": [
            15110.0
        ]
    },
    "DipoleMoment": {
        "name": "Dipole moment",
        "units": "Coulomb.m",
        "value": [
            0.0
        ]
    },
    "VanDerWaalsVolume": {
        "name": "Van der Waals volume",
        "units": "m3/kmol",
        "value": [
            0.09891
        ]
    },
    "VanDerWaalsArea": {
        "name": "Van der Waals area",
        "units": "m2/kmol",
        "value": [
            1386000000.0
        ]
    },
    "HeatOfFormation": {
        "name": "IG heat of formation",
        "units": "J/kmol",
        "value": [
            -236100000.0
        ]
    },
    "GibbsEnergyOfFormation": {
        "name": "IG Gibbs energy of formation",
        "units": "J/kmol",
        "value": [
            38000000.0
        ]
    },
    "AbsEntropy": {
        "name": "IG absolute entropy",
        "units": "J/kmol/K",
        "value": [
            436900.0
        ]
    },
    "HeatOfFusionAtMeltingPoint": {
        "name": "Heat of fusion at melting point",
        "units": "J/kmol",
        "value": [
            9000000.0
        ]
    },
    "MatthiasCopemanC1": {
        "name": "Mathias-Copeman C1",
        "units": "_",
        "value": [
            0.95099
        ]
    },
    "HeatOfCombustion": {
        "name": "Standard net heat of combustion LHV",
        "units": "J/kmol",
        "value": [
            -5682200000.0
        ]
    },
    "SolidDensity": {
        "name": "Solid density",
        "units": "kmol/m3",
        "eqno": {
            "value": "100"
        },
        "A": {
            "value": "8.3777"
        },
        "B": {
            "value": "-0.006123"
        },
        "C": {
            "value": "0"
        },
        "D": {
            "value": "0"
        },
        "E": {
            "value": "0"
        },
        "Tmin": {
            "units": "K",
            "value": "68.41"
        },
        "Tmax": {
            "units": "K",
            "value": "171.03"
        }
    },
    "LiquidDensity": {
        "name": "Liquid density",
        "units": "kmol/m3",
        "eqno": {
            "value": "105"
        },
        "A": {
            "value": "0.49299"
        },
        "B": {
            "value": "0.25927"
        },
        "C": {
            "value": "607.51"
        },
        "D": {
            "value": "0.27003"
        },
        "Tmin": {
            "units": "K",
            "value": "171.03"
        },
        "Tmax": {
            "units": "K",
            "value": "607.5"
        }
    },
    "VaporPressure": {
        "name": "Vapour pressure",
        "units": "Pa",
        "eqno": {
            "value": "101"
        },
        "A": {
            "value": "79.047"
        },
        "B": {
            "value": "-7201.2"
        },
        "C": {
            "value": "-8.4677"
        },
        "D": {
            "value": "0.0000051332"
        },
        "E": {
            "value": "2"
        },
        "Tmin": {
            "units": "K",
            "value": "171.03"
        },
        "Tmax": {
            "units": "K",
            "value": "607.5"
        }
    },
    "HeatOfVaporization": {
        "name": "Heat of vaporization",
        "units": "J/kmol",
        "eqno": {
            "value": "106"
        },
        "A": {
            "value": "5.5207E+07"
        },
        "B": {
            "value": "0.63465"
        },
        "C": {
            "value": "-0.82041"
        },
        "D": {
            "value": "1.0175"
        },
        "E": {
            "value": "-0.45604"
        },
        "Tmin": {
            "units": "K",
            "value": "171.03"
        },
        "Tmax": {
            "units": "K",
            "value": "584.53"
        }
    },
    "SolidHeatCapacityCp": {
        "name": "Solid heat capacity",
        "units": "J/kmol/K",
        "eqno": {
            "value": "1"
        },
        "A": {
            "value": "249210"
        },
        "Tmin": {
            "units": "K",
            "value": "0"
        },
        "Tmax": {
            "units": "K",
            "value": "607.1"
        }
    },
    "LiquidHeatCapacityCp": {
        "name": "Liquid heat capacity",
        "units": "J/kmol/K",
        "eqno": {
            "value": "16"
        },
        "A": {
            "value": "61477"
        },
        "B": {
            "value": "20.611"
        },
        "C": {
            "value": "11.082"
        },
        "D": {
            "value": "0.0041652"
        },
        "E": {
            "value": "-0.0000014763"
        },
        "Tmin": {
            "units": "K",
            "value": "171.03"
        },
        "Tmax": {
            "units": "K",
            "value": "414.7"
        }
    },
    "IdealGasHeatCapacityCp": {
        "name": "Ideal gas heat capacity",
        "units": "J/kmol/K",
        "eqno": {
            "value": "16"
        },
        "A": {
            "value": "50811"
        },
        "B": {
            "value": "-338.13"
        },
        "C": {
            "value": "12.991"
        },
        "D": {
            "value": "0.00056259"
        },
        "E": {
            "value": "-1.7284E-07"
        },
        "Tmin": {
            "units": "K",
            "value": "200"
        },
        "Tmax": {
            "units": "K",
            "value": "1500"
        }
    },
    "SecondVirialCoefficient": {
        "name": "Second virial coefficient",
        "units": "m3/kmol",
        "eqno": {
            "value": "104"
        },
        "A": {
            "value": "0.30059"
        },
        "B": {
            "value": "-410.94"
        },
        "C": {
            "value": "-73.01"
        },
        "D": {
            "value": "-15607"
        },
        "E": {
            "value": "25044"
        },
        "Tmin": {
            "units": "K",
            "value": "303.75"
        },
        "Tmax": {
            "units": "K",
            "value": "1500"
        }
    },
    "LiquidViscosity": {
        "name": "Liquid viscosity",
        "units": "Pa.s",
        "eqno": {
            "value": "101"
        },
        "A": {
            "value": "-7.4098"
        },
        "B": {
            "value": "1217"
        },
        "C": {
            "value": "-0.67198"
        },
        "D": {
            "value": "-2.7904E-07"
        },
        "E": {
            "value": "2"
        },
        "Tmin": {
            "units": "K",
            "value": "171.03"
        },
        "Tmax": {
            "units": "K",
            "value": "546.3"
        }
    },
    "VaporViscosity": {
        "name": "Vapour viscosity",
        "units": "Pa.s",
        "eqno": {
            "value": "102"
        },
        "A": {
            "value": "3.7299E-07"
        },
        "B": {
            "value": "0.59636"
        },
        "C": {
            "value": "289.93"
        },
        "D": {
            "value": "-9056.4"
        },
        "Tmin": {
            "units": "K",
            "value": "171.03"
        },
        "Tmax": {
            "units": "K",
            "value": "1000"
        }
    },
    "LiquidThermalConductivity": {
        "name": "Liquid thermal conductivity",
        "units": "W/m/K",
        "eqno": {
            "value": "16"
        },
        "A": {
            "value": "-0.058699"
        },
        "B": {
            "value": "3.5637"
        },
        "C": {
            "value": "-1.5648"
        },
        "D": {
            "value": "-0.000479"
        },
        "E": {
            "value": "-0.0000010469"
        },
        "Tmin": {
            "units": "K",
            "value": "171.03"
        },
        "Tmax": {
            "units": "K",
            "value": "414.7"
        }
    },
    "VaporThermalConductivity": {
        "name": "Vapour thermal conductivity",
        "units": "W/m/K",
        "eqno": {
            "value": "102"
        },
        "A": {
            "value": "0.000035577"
        },
        "B": {
            "value": "1.1602"
        },
        "C": {
            "value": "-50.424"
        },
        "D": {
            "value": "142790"
        },
        "Tmin": {
            "units": "K",
            "value": "171.03"
        },
        "Tmax": {
            "units": "K",
            "value": "1000"
        }
    },
    "SurfaceTension": {
        "name": "Surface tension",
        "units": "N/m",
        "eqno": {
            "value": "16"
        },
        "A": {
            "value": "-0.015328"
        },
        "B": {
            "value": "14.362"
        },
        "C": {
            "value": "-2.9182"
        },
        "D": {
            "value": "-0.00052501"
        },
        "E": {
            "value": "-0.0000026764"
        },
        "Tmin": {
            "units": "K",
            "value": "171.03"
        },
        "Tmax": {
            "units": "K",
            "value": "584.53"
        }
    },
    "RPPHeatCapacityCp": {
        "name": "Ideal gas heat capacity (RPP)",
        "units": "J/kmol/K",
        "eqno": {
            "value": "100"
        },
        "A": {
            "value": "-76402"
        },
        "B": {
            "value": "1346.3"
        },
        "C": {
            "value": "-1.4905"
        },
        "D": {
            "value": "0.001055"
        },
        "E": {
            "value": "-3.2169E-07"
        },
        "Tmin": {
            "units": "K",
            "value": "200"
        },
        "Tmax": {
            "units": "K",
            "value": "1000"
        }
    },
    "RelativeStaticPermittivity": {
        "name": "Relative static permittivity",
        "units": "_",
        "eqno": {
            "value": "120"
        },
        "A": {
            "value": "-2.197557"
        },
        "B": {
            "value": "-1450"
        },
        "C": {
            "value": "-8.7"
        },
        "Tmin": {
            "units": "K",
            "value": "274.15"
        },
        "Tmax": {
            "units": "K",
            "value": "444.15"
        }
    },
    "AntoineVaporPressure": {
        "name": "Antoine",
        "units": "Pa",
        "eqno": {
            "value": "10"
        },
        "A": {
            "value": "20.915"
        },
        "B": {
            "value": "3420.9"
        },
        "C": {
            "value": "-50.35"
        },
        "Tmin": {
            "units": "K",
            "value": "365"
        },
        "Tmax": {
            "units": "K",
            "value": "538.58"
        }
    },
    "LiquidViscosityRPS": {
        "name": "Liquid viscosity (RPS)",
        "units": "Pa.s",
        "eqno": {
            "value": "12"
        },
        "A": {
            "value": "-2.0446"
        },
        "B": {
            "value": "-0.015849"
        },
        "Tmin": {
            "units": "K",
            "value": "171.03"
        },
        "Tmax": {
            "units": "K",
            "value": "486"
        }
    },
    "COSTALDVolume": {
        "name": "COSTLD characteristic volume (V*)",
        "units": "m3/kmol",
        "value": [
            0.550036
        ]
    },
    "DiameterLJ": {
        "name": "Lennard Jones diameter",
        "units": "m",
        "value": [
            7.38854e-10
        ]
    },
    "EnergyLJ": {
        "name": "Lennard Jones energy",
        "units": "K",
        "value": [
            314.8323
        ]
    },
    "RacketParameter": {
        "name": "Rackett parameter",
        "units": "_",
        "value": [
            0.261
        ]
    },
    "FullerVolume": {
        "name": "Fuller et al. diffusion volume",
        "units": "_",
        "value": [
            189.3
        ]
    },
    "MatthiasCopemanC2": {
        "name": "Mathias-Copeman C2",
        "units": "_",
        "value": [
            0.0
        ]
    },
    "Parachor": {
        "name": "Parachor",
        "units": "kg0.25.m3/s0.5/kmol",
        "value": [
            0.06644
        ]
    },
    "SpecificGravity": {
        "name": "Specific gravity",
        "units": "_",
        "value": [
            0.758871
        ]
    },
    "Charge": {
        "name": "Charge",
        "units": "_",
        "value": [
            0.0
        ]
    },
    "CostaldAcentricFactor": {
        "name": "SRK acentric factor",
        "units": "_",
        "value": [
            0.313
        ]
    },
    "WilsonVolume": {
        "name": "Wilson volume",
        "units": "m3/kmol",
        "value": [
            0.17076
        ]
    },
    "UniquacR": {
        "name": "UNIQUAC r",
        "units": "_",
        "value": [
            6.5199
        ]
    },
    "UniquacQ": {
        "name": "UNIQUAC q",
        "units": "_",
        "value": [
            5.544
        ]
    },
    "ApiSrkS2": {
        "name": "API-SRK s2",
        "units": "_",
        "value": [
            -0.005733
        ]
    },
    "MatthiasCopemanC3": {
        "name": "Mathias-Copeman C3",
        "units": "_",
        "value": [
            0.0
        ]
    },
    "ChaoSeaderAcentricFactor": {
        "name": "Chao-Seader acentric factor",
        "units": "_",
        "value": [
            0.313
        ]
    },
    "ChaoSeaderSolubilityParameter": {
        "name": "Chao-Seader solubility parameter",
        "units": "J0.5/m1.5",
        "value": [
            15110.0
        ]
    },
    "ChaoSeaderLiquidVolume": {
        "name": "Chao-Seader liquid volume",
        "units": "m3/kmol",
        "value": [
            0.17076
        ]
    },
    "UnifacVLE": {
        "name": "UNIFAC",
        "group": [
            {
                "id": "1",
                "value": "6"
            },
            {
                "id": "3",
                "value": "2"
            },
            {
                "id": "4",
                "value": "1"
            }
        ]
    },
    "UnifacLLE": {
        "name": "UNIFAC-LLE",
        "group": [
            {
                "id": "1",
                "value": "6"
            },
            {
                "id": "3",
                "value": "2"
            },
            {
                "id": "4",
                "value": "1"
            }
        ]
    },
    "Asog": {
        "name": "ASOG",
        "group": [
            {
                "id": "1",
                "value": "6"
            },
            {
                "id": "3",
                "value": "2"
            },
            {
                "id": "4",
                "value": "1"
            }
        ]
    },
    "GCmethod": {
        "name": "PPR78",
        "group": [
            {
                "id": "1",
                "value": "6"
            },
            {
                "id": "3",
                "value": "2"
            },
            {
                "id": "4",
                "value": "1"
            }
        ]
    },
    "Umr": {
        "name": "UMR",
        "group": [
            {
                "id": "1",
                "value": "6"
            },
            {
                "id": "3",
                "value": "2"
            },
            {
                "id": "4",
                "value": "1"
            }
        ]
    },
    "ModifiedUnifac": {
        "name": "Modified UNIFAC",
        "group": [
            {
                "id": "1",
                "value": "6"
            },
            {
                "id": "3",
                "value": "2"
            },
            {
                "id": "4",
                "value": "1"
            }
        ]
    },
    "CAS": {
        "name": "CAS number",
        "value": [
            "16747-38-9"
        ]
    },
    "Smiles": {
        "name": "SMILES",
        "value": [
            "CC(C)C(C)(C)C(C)C"
        ]
    }
}