2,3-dimethylbutane.json

{
    "LibraryIndex": {
        "name": "Index",
        "value": [
            15.0
        ]
    },
    "CompoundID": {
        "name": "Name",
        "value": [
            "2,3-dimethylbutane"
        ]
    },
    "StructureFormula": {
        "name": "Structure",
        "value": [
            "(CH3)2CHCH(CH3)2"
        ]
    },
    "Family": {
        "name": "Family",
        "value": [
            3.0
        ]
    },
    "CriticalTemperature": {
        "name": "Critical temperature",
        "units": "K",
        "value": [
            499.9
        ]
    },
    "CriticalPressure": {
        "name": "Critical pressure",
        "units": "Pa",
        "value": [
            3130000.0
        ]
    },
    "CriticalVolume": {
        "name": "Critical volume",
        "units": "m3/kmol",
        "value": [
            0.3576
        ]
    },
    "CriticalCompressibility": {
        "name": "Critical compressibility factor",
        "units": "_",
        "value": [
            0.269
        ]
    },
    "NormalBoilingPointTemperature": {
        "name": "Normal boiling point",
        "units": "K",
        "value": [
            331.12
        ]
    },
    "NormalMeltingPointTemperature": {
        "name": "Melting point",
        "units": "K",
        "value": [
            145.19
        ]
    },
    "TriplePointTemperature": {
        "name": "Triple point temperature",
        "units": "K",
        "value": [
            145.19
        ]
    },
    "TriplePointPressure": {
        "name": "Triple point pressure",
        "units": "Pa",
        "value": [
            0.0152127
        ]
    },
    "MolecularWeight": {
        "name": "Molecular weight",
        "units": "kg/kmol",
        "value": [
            86.17536
        ]
    },
    "LiquidVolumeAtNormalBoilingPoint": {
        "name": "Liquid molar volume at normal boiling point",
        "units": "m3/kmol",
        "value": [
            0.13117
        ]
    },
    "AcentricityFactor": {
        "name": "Acentric factor",
        "units": "_",
        "value": [
            0.248
        ]
    },
    "RadiusOfGyration": {
        "name": "Radius of gyration",
        "units": "m",
        "value": [
            3.636e-10
        ]
    },
    "SolubilityParameter": {
        "name": "Solubility parameter",
        "units": "J0.5/m1.5",
        "value": [
            14300.0
        ]
    },
    "DipoleMoment": {
        "name": "Dipole moment",
        "units": "Coulomb.m",
        "value": [
            0.0
        ]
    },
    "VanDerWaalsVolume": {
        "name": "Van der Waals volume",
        "units": "m3/kmol",
        "value": [
            0.06824
        ]
    },
    "VanDerWaalsArea": {
        "name": "Van der Waals area",
        "units": "m2/kmol",
        "value": [
            962000000.0
        ]
    },
    "HeatOfFormation": {
        "name": "IG heat of formation",
        "units": "J/kmol",
        "value": [
            -176800000.0
        ]
    },
    "GibbsEnergyOfFormation": {
        "name": "IG Gibbs energy of formation",
        "units": "J/kmol",
        "value": [
            -3125000.0
        ]
    },
    "AbsEntropy": {
        "name": "IG absolute entropy",
        "units": "J/kmol/K",
        "value": [
            365920.0
        ]
    },
    "HeatOfFusionAtMeltingPoint": {
        "name": "Heat of fusion at melting point",
        "units": "J/kmol",
        "value": [
            799100.0
        ]
    },
    "MatthiasCopemanC1": {
        "name": "Mathias-Copeman C1",
        "units": "_",
        "value": [
            0.85804
        ]
    },
    "HeatOfCombustion": {
        "name": "Standard net heat of combustion LHV",
        "units": "J/kmol",
        "value": [
            -3847610000.0
        ]
    },
    "SolidDensity": {
        "name": "Solid density",
        "units": "kmol/m3",
        "eqno": {
            "value": "2"
        },
        "A": {
            "value": "11.428"
        },
        "B": {
            "value": "-0.008415"
        },
        "Tmin": {
            "units": "K",
            "value": "58.08"
        },
        "Tmax": {
            "units": "K",
            "value": "145.19"
        }
    },
    "LiquidDensity": {
        "name": "Liquid density",
        "units": "kmol/m3",
        "eqno": {
            "value": "105"
        },
        "A": {
            "value": "0.67999"
        },
        "B": {
            "value": "0.25932"
        },
        "C": {
            "value": "500.01"
        },
        "D": {
            "value": "0.25836"
        },
        "Tmin": {
            "units": "K",
            "value": "145.19"
        },
        "Tmax": {
            "units": "K",
            "value": "500"
        }
    },
    "VaporPressure": {
        "name": "Vapour pressure",
        "units": "Pa",
        "eqno": {
            "value": "101"
        },
        "A": {
            "value": "76.80058"
        },
        "B": {
            "value": "-5679.218"
        },
        "C": {
            "value": "-8.443302"
        },
        "D": {
            "value": "7.93783E-06"
        },
        "E": {
            "value": "2"
        },
        "Tmin": {
            "units": "K",
            "value": "145.19"
        },
        "Tmax": {
            "units": "K",
            "value": "500"
        }
    },
    "HeatOfVaporization": {
        "name": "Heat of vaporization",
        "units": "J/kmol",
        "eqno": {
            "value": "106"
        },
        "A": {
            "value": "4.7443E+07"
        },
        "B": {
            "value": "0.91932"
        },
        "C": {
            "value": "-0.91329"
        },
        "D": {
            "value": "0.50392"
        },
        "E": {
            "value": "-0.089442"
        },
        "Tmin": {
            "units": "K",
            "value": "145.19"
        },
        "Tmax": {
            "units": "K",
            "value": "481.33"
        }
    },
    "SolidHeatCapacityCp": {
        "name": "Solid heat capacity",
        "units": "J/kmol/K",
        "eqno": {
            "value": "100"
        },
        "A": {
            "value": "-21392"
        },
        "B": {
            "value": "2002.6"
        },
        "C": {
            "value": "-18.844"
        },
        "D": {
            "value": "0.11065"
        },
        "E": {
            "value": "-0.00021726"
        },
        "Tmin": {
            "units": "K",
            "value": "17.2"
        },
        "Tmax": {
            "units": "K",
            "value": "136.07"
        }
    },
    "LiquidHeatCapacityCp": {
        "name": "Liquid heat capacity",
        "units": "J/kmol/K",
        "eqno": {
            "value": "16"
        },
        "A": {
            "value": "126350"
        },
        "B": {
            "value": "-53.429"
        },
        "C": {
            "value": "8.8794"
        },
        "D": {
            "value": "0.010279"
        },
        "E": {
            "value": "-0.0000080841"
        },
        "Tmin": {
            "units": "K",
            "value": "145.19"
        },
        "Tmax": {
            "units": "K",
            "value": "331.13"
        }
    },
    "IdealGasHeatCapacityCp": {
        "name": "Ideal gas heat capacity",
        "units": "J/kmol/K",
        "eqno": {
            "value": "16"
        },
        "A": {
            "value": "46722"
        },
        "B": {
            "value": "-391.59"
        },
        "C": {
            "value": "12.599"
        },
        "D": {
            "value": "0.00056088"
        },
        "E": {
            "value": "-1.7583E-07"
        },
        "Tmin": {
            "units": "K",
            "value": "200"
        },
        "Tmax": {
            "units": "K",
            "value": "1500"
        }
    },
    "SecondVirialCoefficient": {
        "name": "Second virial coefficient",
        "units": "m3/kmol",
        "eqno": {
            "value": "104"
        },
        "A": {
            "value": "0.20289"
        },
        "B": {
            "value": "-208.43"
        },
        "C": {
            "value": "-28.236"
        },
        "D": {
            "value": "-12822"
        },
        "E": {
            "value": "38509"
        },
        "Tmin": {
            "units": "K",
            "value": "295.95"
        },
        "Tmax": {
            "units": "K",
            "value": "1999.72"
        }
    },
    "LiquidViscosity": {
        "name": "Liquid viscosity",
        "units": "Pa.s",
        "eqno": {
            "value": "101"
        },
        "A": {
            "value": "6.9204"
        },
        "B": {
            "value": "231.1"
        },
        "C": {
            "value": "-2.7393"
        },
        "D": {
            "value": "-1.3079E-07"
        },
        "E": {
            "value": "2"
        },
        "Tmin": {
            "units": "K",
            "value": "220"
        },
        "Tmax": {
            "units": "K",
            "value": "331.13"
        }
    },
    "VaporViscosity": {
        "name": "Vapour viscosity",
        "units": "Pa.s",
        "eqno": {
            "value": "102"
        },
        "A": {
            "value": "6.8449E-07"
        },
        "B": {
            "value": "0.52371"
        },
        "C": {
            "value": "291.92"
        },
        "D": {
            "value": "-3199.1"
        },
        "Tmin": {
            "units": "K",
            "value": "145.19"
        },
        "Tmax": {
            "units": "K",
            "value": "1000"
        }
    },
    "LiquidThermalConductivity": {
        "name": "Liquid thermal conductivity",
        "units": "W/m/K",
        "eqno": {
            "value": "16"
        },
        "A": {
            "value": "-0.05308"
        },
        "B": {
            "value": "-5.5491"
        },
        "C": {
            "value": "-1.4118"
        },
        "D": {
            "value": "-0.0011735"
        },
        "E": {
            "value": "-7.4229E-07"
        },
        "Tmin": {
            "units": "K",
            "value": "140"
        },
        "Tmax": {
            "units": "K",
            "value": "331.15"
        }
    },
    "VaporThermalConductivity": {
        "name": "Vapour thermal conductivity",
        "units": "W/m/K",
        "eqno": {
            "value": "102"
        },
        "A": {
            "value": "0.000032078"
        },
        "B": {
            "value": "1.1749"
        },
        "C": {
            "value": "-107.52"
        },
        "D": {
            "value": "129270"
        },
        "Tmin": {
            "units": "K",
            "value": "145.19"
        },
        "Tmax": {
            "units": "K",
            "value": "1000"
        }
    },
    "SurfaceTension": {
        "name": "Surface tension",
        "units": "N/m",
        "eqno": {
            "value": "16"
        },
        "A": {
            "value": "-0.013057"
        },
        "B": {
            "value": "15.542"
        },
        "C": {
            "value": "-3.0183"
        },
        "D": {
            "value": "-0.0004395"
        },
        "E": {
            "value": "-0.0000046347"
        },
        "Tmin": {
            "units": "K",
            "value": "145.19"
        },
        "Tmax": {
            "units": "K",
            "value": "481.33"
        }
    },
    "RPPHeatCapacityCp": {
        "name": "Ideal gas heat capacity (RPP)",
        "units": "J/kmol/K",
        "eqno": {
            "value": "100"
        },
        "A": {
            "value": "-18408"
        },
        "B": {
            "value": "618.2"
        },
        "C": {
            "value": "-0.30739"
        },
        "D": {
            "value": "0.000022699"
        },
        "E": {
            "value": "2.5609E-08"
        },
        "Tmin": {
            "units": "K",
            "value": "200"
        },
        "Tmax": {
            "units": "K",
            "value": "1000"
        }
    },
    "AntoineVaporPressure": {
        "name": "Antoine",
        "units": "Pa",
        "eqno": {
            "value": "10"
        },
        "A": {
            "value": "20.905"
        },
        "B": {
            "value": "2797"
        },
        "C": {
            "value": "-32.946"
        },
        "Tmin": {
            "units": "K",
            "value": "300.4"
        },
        "Tmax": {
            "units": "K",
            "value": "443.98"
        }
    },
    "LiquidViscosityRPS": {
        "name": "Liquid viscosity (RPS)",
        "units": "Pa.s",
        "eqno": {
            "value": "13"
        },
        "A": {
            "value": "-1.7621"
        },
        "B": {
            "value": "-0.029455"
        },
        "C": {
            "value": "0.000029461"
        },
        "Tmin": {
            "units": "K",
            "value": "220"
        },
        "Tmax": {
            "units": "K",
            "value": "331.13"
        }
    },
    "COSTALDVolume": {
        "name": "COSTLD characteristic volume (V*)",
        "units": "m3/kmol",
        "value": [
            0.361
        ]
    },
    "DiameterLJ": {
        "name": "Lennard Jones diameter",
        "units": "m",
        "value": [
            6.40238e-10
        ]
    },
    "EnergyLJ": {
        "name": "Lennard Jones energy",
        "units": "K",
        "value": [
            289.0044
        ]
    },
    "RacketParameter": {
        "name": "Rackett parameter",
        "units": "_",
        "value": [
            0.2694
        ]
    },
    "FullerVolume": {
        "name": "Fuller et al. diffusion volume",
        "units": "_",
        "value": [
            127.74
        ]
    },
    "MatthiasCopemanC2": {
        "name": "Mathias-Copeman C2",
        "units": "_",
        "value": [
            -0.02497
        ]
    },
    "Parachor": {
        "name": "Parachor",
        "units": "kg0.25.m3/s0.5/kmol",
        "value": [
            0.0473
        ]
    },
    "SpecificGravity": {
        "name": "Specific gravity",
        "units": "_",
        "value": [
            0.665168
        ]
    },
    "Charge": {
        "name": "Charge",
        "units": "_",
        "value": [
            0.0
        ]
    },
    "CostaldAcentricFactor": {
        "name": "SRK acentric factor",
        "units": "_",
        "value": [
            0.2477
        ]
    },
    "WilsonVolume": {
        "name": "Wilson volume",
        "units": "m3/kmol",
        "value": [
            0.13105
        ]
    },
    "UniquacR": {
        "name": "UNIQUAC r",
        "units": "_",
        "value": [
            4.4982
        ]
    },
    "UniquacQ": {
        "name": "UNIQUAC q",
        "units": "_",
        "value": [
            3.848
        ]
    },
    "ApiSrkS2": {
        "name": "API-SRK s2",
        "units": "_",
        "value": [
            -0.004579
        ]
    },
    "MatthiasCopemanC3": {
        "name": "Mathias-Copeman C3",
        "units": "_",
        "value": [
            -0.01856
        ]
    },
    "ChaoSeaderAcentricFactor": {
        "name": "Chao-Seader acentric factor",
        "units": "_",
        "value": [
            0.24754
        ]
    },
    "ChaoSeaderSolubilityParameter": {
        "name": "Chao-Seader solubility parameter",
        "units": "J0.5/m1.5",
        "value": [
            14352.8
        ]
    },
    "ChaoSeaderLiquidVolume": {
        "name": "Chao-Seader liquid volume",
        "units": "m3/kmol",
        "value": [
            0.13105
        ]
    },
    "UnifacVLE": {
        "name": "UNIFAC",
        "group": [
            {
                "id": "1",
                "value": "4"
            },
            {
                "id": "3",
                "value": "2"
            }
        ]
    },
    "UnifacLLE": {
        "name": "UNIFAC-LLE",
        "group": [
            {
                "id": "1",
                "value": "4"
            },
            {
                "id": "3",
                "value": "2"
            }
        ]
    },
    "Asog": {
        "name": "ASOG",
        "group": [
            {
                "id": "1",
                "value": "4"
            },
            {
                "id": "3",
                "value": "2"
            }
        ]
    },
    "GCmethod": {
        "name": "PPR78",
        "group": [
            {
                "id": "1",
                "value": "4"
            },
            {
                "id": "3",
                "value": "2"
            }
        ]
    },
    "Umr": {
        "name": "UMR",
        "group": [
            {
                "id": "1",
                "value": "4"
            },
            {
                "id": "3",
                "value": "2"
            }
        ]
    },
    "ModifiedUnifac": {
        "name": "Modified UNIFAC",
        "group": [
            {
                "id": "1",
                "value": "4"
            },
            {
                "id": "3",
                "value": "2"
            }
        ]
    },
    "CAS": {
        "name": "CAS number",
        "value": [
            "79-29-8"
        ]
    },
    "Smiles": {
        "name": "SMILES",
        "value": [
            "CC(C)C(C)C"
        ]
    }
}