2,3,3-trimethylpentane.json

{
    "LibraryIndex": {
        "name": "Index",
        "value": [
            42.0
        ]
    },
    "CompoundID": {
        "name": "Name",
        "value": [
            "2,3,3-trimethylpentane"
        ]
    },
    "StructureFormula": {
        "name": "Structure",
        "value": [
            "CH3CH(CH3)C(CH3)2CH2CH3"
        ]
    },
    "Family": {
        "name": "Family",
        "value": [
            4.0
        ]
    },
    "CriticalTemperature": {
        "name": "Critical temperature",
        "units": "K",
        "value": [
            573.5
        ]
    },
    "CriticalPressure": {
        "name": "Critical pressure",
        "units": "Pa",
        "value": [
            2820000.0
        ]
    },
    "CriticalVolume": {
        "name": "Critical volume",
        "units": "m3/kmol",
        "value": [
            0.4551
        ]
    },
    "CriticalCompressibility": {
        "name": "Critical compressibility factor",
        "units": "_",
        "value": [
            0.269
        ]
    },
    "NormalBoilingPointTemperature": {
        "name": "Normal boiling point",
        "units": "K",
        "value": [
            387.92
        ]
    },
    "NormalMeltingPointTemperature": {
        "name": "Melting point",
        "units": "K",
        "value": [
            172.22
        ]
    },
    "TriplePointTemperature": {
        "name": "Triple point temperature",
        "units": "K",
        "value": [
            172.22
        ]
    },
    "TriplePointPressure": {
        "name": "Triple point pressure",
        "units": "Pa",
        "value": [
            0.0168197
        ]
    },
    "MolecularWeight": {
        "name": "Molecular weight",
        "units": "kg/kmol",
        "value": [
            114.2285
        ]
    },
    "LiquidVolumeAtNormalBoilingPoint": {
        "name": "Liquid molar volume at normal boiling point",
        "units": "m3/kmol",
        "value": [
            0.15815
        ]
    },
    "AcentricityFactor": {
        "name": "Acentric factor",
        "units": "_",
        "value": [
            0.291
        ]
    },
    "RadiusOfGyration": {
        "name": "Radius of gyration",
        "units": "m",
        "value": [
            3.96e-10
        ]
    },
    "SolubilityParameter": {
        "name": "Solubility parameter",
        "units": "J0.5/m1.5",
        "value": [
            14920.0
        ]
    },
    "DipoleMoment": {
        "name": "Dipole moment",
        "units": "Coulomb.m",
        "value": [
            0.0
        ]
    },
    "VanDerWaalsVolume": {
        "name": "Van der Waals volume",
        "units": "m3/kmol",
        "value": [
            0.08869
        ]
    },
    "VanDerWaalsArea": {
        "name": "Van der Waals area",
        "units": "m2/kmol",
        "value": [
            1252000000.0
        ]
    },
    "HeatOfFormation": {
        "name": "IG heat of formation",
        "units": "J/kmol",
        "value": [
            -218450000.0
        ]
    },
    "GibbsEnergyOfFormation": {
        "name": "IG Gibbs energy of formation",
        "units": "J/kmol",
        "value": [
            18280000.0
        ]
    },
    "AbsEntropy": {
        "name": "IG absolute entropy",
        "units": "J/kmol/K",
        "value": [
            427020.0
        ]
    },
    "HeatOfFusionAtMeltingPoint": {
        "name": "Heat of fusion at melting point",
        "units": "J/kmol",
        "value": [
            857720.0
        ]
    },
    "MatthiasCopemanC1": {
        "name": "Mathias-Copeman C1",
        "units": "_",
        "value": [
            0.91681
        ]
    },
    "HeatOfCombustion": {
        "name": "Standard net heat of combustion LHV",
        "units": "J/kmol",
        "value": [
            -5068760000.0
        ]
    },
    "SolidDensity": {
        "name": "Solid density",
        "units": "kmol/m3",
        "eqno": {
            "value": "2"
        },
        "A": {
            "value": "8.9997"
        },
        "B": {
            "value": "-0.0058029"
        },
        "Tmin": {
            "units": "K",
            "value": "68.89"
        },
        "Tmax": {
            "units": "K",
            "value": "172.22"
        }
    },
    "LiquidDensity": {
        "name": "Liquid density",
        "units": "kmol/m3",
        "eqno": {
            "value": "105"
        },
        "A": {
            "value": "0.56592"
        },
        "B": {
            "value": "0.26622"
        },
        "C": {
            "value": "573.5"
        },
        "D": {
            "value": "0.26429"
        },
        "Tmin": {
            "units": "K",
            "value": "172.22"
        },
        "Tmax": {
            "units": "K",
            "value": "573.5"
        }
    },
    "VaporPressure": {
        "name": "Vapour pressure",
        "units": "Pa",
        "eqno": {
            "value": "101"
        },
        "A": {
            "value": "82.87517"
        },
        "B": {
            "value": "-6894.749"
        },
        "C": {
            "value": "-9.15013"
        },
        "D": {
            "value": "6.430758E-06"
        },
        "E": {
            "value": "2"
        },
        "Tmin": {
            "units": "K",
            "value": "172.22"
        },
        "Tmax": {
            "units": "K",
            "value": "573.5"
        }
    },
    "HeatOfVaporization": {
        "name": "Heat of vaporization",
        "units": "J/kmol",
        "eqno": {
            "value": "106"
        },
        "A": {
            "value": "5.838161E+07"
        },
        "B": {
            "value": "1.059379"
        },
        "C": {
            "value": "-1.234692"
        },
        "D": {
            "value": "0.816701"
        },
        "E": {
            "value": "-0.225175"
        },
        "Tmin": {
            "units": "K",
            "value": "172.22"
        },
        "Tmax": {
            "units": "K",
            "value": "573.5"
        }
    },
    "SolidHeatCapacityCp": {
        "name": "Solid heat capacity",
        "units": "J/kmol/K",
        "eqno": {
            "value": "1"
        },
        "A": {
            "value": "223200"
        },
        "Tmin": {
            "units": "K",
            "value": "280"
        },
        "Tmax": {
            "units": "K",
            "value": "0"
        }
    },
    "LiquidHeatCapacityCp": {
        "name": "Liquid heat capacity",
        "units": "J/kmol/K",
        "eqno": {
            "value": "16"
        },
        "A": {
            "value": "217000"
        },
        "B": {
            "value": "82.075"
        },
        "C": {
            "value": "1.8853"
        },
        "D": {
            "value": "0.036678"
        },
        "E": {
            "value": "-0.000031911"
        },
        "Tmin": {
            "units": "K",
            "value": "280"
        },
        "Tmax": {
            "units": "K",
            "value": "320"
        }
    },
    "IdealGasHeatCapacityCp": {
        "name": "Ideal gas heat capacity",
        "units": "J/kmol/K",
        "eqno": {
            "value": "16"
        },
        "A": {
            "value": "48585"
        },
        "B": {
            "value": "-365.95"
        },
        "C": {
            "value": "12.926"
        },
        "D": {
            "value": "0.00051631"
        },
        "E": {
            "value": "-1.5846E-07"
        },
        "Tmin": {
            "units": "K",
            "value": "200"
        },
        "Tmax": {
            "units": "K",
            "value": "1500"
        }
    },
    "SecondVirialCoefficient": {
        "name": "Second virial coefficient",
        "units": "m3/kmol",
        "eqno": {
            "value": "104"
        },
        "A": {
            "value": "0.26872"
        },
        "B": {
            "value": "-341.85"
        },
        "C": {
            "value": "-55.056"
        },
        "D": {
            "value": "-7881.5"
        },
        "E": {
            "value": "10783"
        },
        "Tmin": {
            "units": "K",
            "value": "286.75"
        },
        "Tmax": {
            "units": "K",
            "value": "2000"
        }
    },
    "LiquidViscosity": {
        "name": "Liquid viscosity",
        "units": "Pa.s",
        "eqno": {
            "value": "101"
        },
        "A": {
            "value": "-10.941"
        },
        "B": {
            "value": "1191.2"
        },
        "C": {
            "value": "-0.045562"
        },
        "D": {
            "value": "-0.0000023087"
        },
        "E": {
            "value": "2"
        },
        "Tmin": {
            "units": "K",
            "value": "172.22"
        },
        "Tmax": {
            "units": "K",
            "value": "489.51"
        }
    },
    "VaporViscosity": {
        "name": "Vapour viscosity",
        "units": "Pa.s",
        "eqno": {
            "value": "102"
        },
        "A": {
            "value": "8.2493E-07"
        },
        "B": {
            "value": "0.49302"
        },
        "C": {
            "value": "371.93"
        },
        "D": {
            "value": "-89.774"
        },
        "Tmin": {
            "units": "K",
            "value": "387.91"
        },
        "Tmax": {
            "units": "K",
            "value": "1000"
        }
    },
    "LiquidThermalConductivity": {
        "name": "Liquid thermal conductivity",
        "units": "W/m/K",
        "eqno": {
            "value": "16"
        },
        "A": {
            "value": "-0.040193"
        },
        "B": {
            "value": "3.6823"
        },
        "C": {
            "value": "-1.645"
        },
        "D": {
            "value": "-0.00052834"
        },
        "E": {
            "value": "-0.0000014091"
        },
        "Tmin": {
            "units": "K",
            "value": "172.22"
        },
        "Tmax": {
            "units": "K",
            "value": "387.91"
        }
    },
    "VaporThermalConductivity": {
        "name": "Vapour thermal conductivity",
        "units": "W/m/K",
        "eqno": {
            "value": "102"
        },
        "A": {
            "value": "0.000018829"
        },
        "B": {
            "value": "1.2378"
        },
        "C": {
            "value": "-181.1"
        },
        "D": {
            "value": "146480"
        },
        "Tmin": {
            "units": "K",
            "value": "172.22"
        },
        "Tmax": {
            "units": "K",
            "value": "1000"
        }
    },
    "SurfaceTension": {
        "name": "Surface tension",
        "units": "N/m",
        "eqno": {
            "value": "16"
        },
        "A": {
            "value": "-0.01117"
        },
        "B": {
            "value": "27.611"
        },
        "C": {
            "value": "-3.1709"
        },
        "D": {
            "value": "0.00013513"
        },
        "E": {
            "value": "-0.0000044446"
        },
        "Tmin": {
            "units": "K",
            "value": "172.22"
        },
        "Tmax": {
            "units": "K",
            "value": "573.5"
        }
    },
    "RPPHeatCapacityCp": {
        "name": "Ideal gas heat capacity (RPP)",
        "units": "J/kmol/K",
        "eqno": {
            "value": "100"
        },
        "A": {
            "value": "-47609"
        },
        "B": {
            "value": "980.6"
        },
        "C": {
            "value": "-0.74331"
        },
        "D": {
            "value": "0.00033358"
        },
        "E": {
            "value": "-6.7846E-08"
        },
        "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": "20.868"
        },
        "B": {
            "value": "3199.9"
        },
        "C": {
            "value": "-45.369"
        },
        "Tmin": {
            "units": "K",
            "value": "345.13"
        },
        "Tmax": {
            "units": "K",
            "value": "513.19"
        }
    },
    "LiquidViscosityRPS": {
        "name": "Liquid viscosity (RPS)",
        "units": "Pa.s",
        "eqno": {
            "value": "13"
        },
        "A": {
            "value": "2.0041"
        },
        "B": {
            "value": "-0.04624"
        },
        "C": {
            "value": "0.000049116"
        },
        "Tmin": {
            "units": "K",
            "value": "172.22"
        },
        "Tmax": {
            "units": "K",
            "value": "452.22"
        }
    },
    "COSTALDVolume": {
        "name": "COSTLD characteristic volume (V*)",
        "units": "m3/kmol",
        "value": [
            0.46322
        ]
    },
    "DiameterLJ": {
        "name": "Lennard Jones diameter",
        "units": "m",
        "value": [
            6.938163e-10
        ]
    },
    "EnergyLJ": {
        "name": "Lennard Jones energy",
        "units": "K",
        "value": [
            331.5544
        ]
    },
    "FullerVolume": {
        "name": "Fuller et al. diffusion volume",
        "units": "_",
        "value": [
            168.78
        ]
    },
    "MatthiasCopemanC2": {
        "name": "Mathias-Copeman C2",
        "units": "_",
        "value": [
            0.0
        ]
    },
    "Parachor": {
        "name": "Parachor",
        "units": "kg0.25.m3/s0.5/kmol",
        "value": [
            0.0601
        ]
    },
    "SpecificGravity": {
        "name": "Specific gravity",
        "units": "_",
        "value": [
            0.729041
        ]
    },
    "Charge": {
        "name": "Charge",
        "units": "_",
        "value": [
            0.0
        ]
    },
    "CostaldAcentricFactor": {
        "name": "SRK acentric factor",
        "units": "_",
        "value": [
            0.28889
        ]
    },
    "WilsonVolume": {
        "name": "Wilson volume",
        "units": "m3/kmol",
        "value": [
            0.158155
        ]
    },
    "UniquacR": {
        "name": "UNIQUAC r",
        "units": "_",
        "value": [
            5.85
        ]
    },
    "UniquacQ": {
        "name": "UNIQUAC q",
        "units": "_",
        "value": [
            4.94
        ]
    },
    "ApiSrkS2": {
        "name": "API-SRK s2",
        "units": "_",
        "value": [
            -0.003849
        ]
    },
    "MatthiasCopemanC3": {
        "name": "Mathias-Copeman C3",
        "units": "_",
        "value": [
            0.0
        ]
    },
    "ChaoSeaderAcentricFactor": {
        "name": "Chao-Seader acentric factor",
        "units": "_",
        "value": [
            0.2903
        ]
    },
    "ChaoSeaderSolubilityParameter": {
        "name": "Chao-Seader solubility parameter",
        "units": "J0.5/m1.5",
        "value": [
            14919.5
        ]
    },
    "ChaoSeaderLiquidVolume": {
        "name": "Chao-Seader liquid volume",
        "units": "m3/kmol",
        "value": [
            0.158155
        ]
    },
    "UnifacVLE": {
        "name": "UNIFAC",
        "group": [
            {
                "id": "1",
                "value": "5"
            },
            {
                "id": "2",
                "value": "1"
            },
            {
                "id": "3",
                "value": "1"
            },
            {
                "id": "4",
                "value": "1"
            }
        ]
    },
    "UnifacLLE": {
        "name": "UNIFAC-LLE",
        "group": [
            {
                "id": "1",
                "value": "5"
            },
            {
                "id": "2",
                "value": "1"
            },
            {
                "id": "3",
                "value": "1"
            },
            {
                "id": "4",
                "value": "1"
            }
        ]
    },
    "Asog": {
        "name": "ASOG",
        "group": [
            {
                "id": "1",
                "value": "5"
            },
            {
                "id": "2",
                "value": "1"
            },
            {
                "id": "3",
                "value": "1"
            },
            {
                "id": "4",
                "value": "1"
            }
        ]
    },
    "GCmethod": {
        "name": "PPR78",
        "group": [
            {
                "id": "1",
                "value": "5"
            },
            {
                "id": "2",
                "value": "1"
            },
            {
                "id": "3",
                "value": "1"
            },
            {
                "id": "4",
                "value": "1"
            }
        ]
    },
    "Umr": {
        "name": "UMR",
        "group": [
            {
                "id": "1",
                "value": "5"
            },
            {
                "id": "2",
                "value": "1"
            },
            {
                "id": "3",
                "value": "1"
            },
            {
                "id": "4",
                "value": "1"
            }
        ]
    },
    "ModifiedUnifac": {
        "name": "Modified UNIFAC",
        "group": [
            {
                "id": "1",
                "value": "5"
            },
            {
                "id": "2",
                "value": "1"
            },
            {
                "id": "3",
                "value": "1"
            },
            {
                "id": "4",
                "value": "1"
            }
        ]
    },
    "CAS": {
        "name": "CAS number",
        "value": [
            "560-21-4"
        ]
    },
    "Smiles": {
        "name": "SMILES",
        "value": [
            "CC(C)C(C)(C)CC"
        ]
    }
}