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getCompoundConstant

getCompoundConstant is used to retrieve compound specific constant values. It can return numeric or string properties.

Syntax

value=getCompoundConstant(constantName)

Arguments

constantName
String; name of the compound constants. The following compound constants may be supported, depending on the underlying thermo system:

constant namedescriptionunit of measure
casRegistryNumberCAS registration number(string)
chemicalFormulaChemical formula, Hill notation(string)
iupacNameIUPAC compound name(string)
SMILESformulaSMILES chemical formula(string)
acentricFactorAcentric factor-
associationParameterHayden-O'Connell association parameter-
bornRadiusBorn radiusm
chargeMolecular charge-
criticalCompressibilityFactorCritical compressibility factor-
criticalDensityCritical densitymol / m3
criticalPressureCritical pressurePa
criticalTemperatureCritical temperatureK
criticalVolumeCritical volumem3 / mol
diffusionVolumeDiffusion volumem3
dipoleMomentDipole momentC m
energyLennardJonesLennard Jones energy parameter divided by Bolzman factorK
gyrationRadiusRadius of gyrationM
heatOfFusionAtNormalFreezingPointEnthalpy change on melting at normal freezing point (101325 Pa)J / mol
heatOfVaporizationAtNormalBoilingPointEnthalpy change on vaporization at normal boiling point (101325 Pa)J / mol
idealGasEnthalpyOfFormationAt25CIdeal gas enthalpy of formation at 298.15 KJ / mol
idealGasGibbsFreeEnergyOfFormationAt25CIdeal gas Gibbs free energy of formation at 298.15 KJ / mol
liquidDensityAt25CLiquid density at 298.15 Kmol / m3
liquidVolumeAt25CLiquid volume at 298.15 Km3 / mol
lengthLennardJonesLennard Jones length parameterm
molecularWeightRelative molecular weightgr / mol
normalBoilingPointBoiling point temperature at 101325 PaK
normalFreezingPointMelting point temperature at 101325 PaK
parachorParachorm3 kg0.25 / (s 0.5 mol)
standardEntropyGasStandard entropy of gasJ / mol
standardEntropyLiquidStandard entropy of liquidJ / mol
standardEntropySolidStandard entropy of solidJ / mol
standardEnthalpyAqueousDilutionStandard aqueous infinite dilution enthalpyJ / mol
standardFormationEnthalpyGasStandard enthalpy change on formation of gasJ / mol
standardFormationEnthalpyLiquidStandard enthalpy change on formation of liquidJ / mol
standardFormationEnthalpySolidStandard enthalpy change on formation of solidJ / mol
standardFormationGibbsEnergyGasStandard Gibbs energy change on formation of gasJ / mol
standardFormationGibbsEnergyLiquidStandard Gibbs energy change on formation of liquidJ / mol
standardFormationGibbsEnergySolidStandard Gibbs energy change on formation of solidJ / mol
standardGibbsAqueousDilutionStandard aqueous infinite dilution Gibbs energyJ / mol
triplePointPressureTriple point pressurePa
triplePointTemperature Triple point temperatureK
vanderwaalsAreavan der Waals aream2 / mol
vanderwaalsVolumevan der Waals volumem3 / mol

Returns:

value
Values for the compound constants. For numeric values, this will be a row vector with one element for each compound. For string values, it will be a column vector of strings, also containing one value for each compound.

Examples

» Tc=getCompoundConstant('criticalTemperature')

Tc =

  282.3400   33.1900  305.3200  126.2000

» uom=getPropertyUnitOfMeasure('criticalTemperature')

uom =

K

» formula=getCompoundConstant('chemicalFormula')

formula = 

    'C2H4'    'H2'    'C2H6'    'N2'
INDEX
CONTENT