CAPE-OPEN constant properties

For a complete reference of properties, please see CAPE-OPEN version 1.0 thermodynamic interface and CAPE-OPEN version 1.1 thermodynamic interface.

The following compound properties may be available for any given compound:

Thermo version 1.0 name	Thermo version 1.1 name	description
iupacName	iupacName	Complete IUPAC Name
casRegistryNumber	casRegistryNumber	Chemical Abstract Sequencing Number (CAS)
chemicalFormula	chemicalFormula	Chemical formula (brutto, nomenclature according to Hill)
structureFormula	structureFormula	Chemical structure formula
SMILESformula	SMILESformula	SMILES chemical structure formula
acentricFactor	acentricFactor	Pitzer Acentric Factor
associationParameter	associationParameter	Association-Parameter (Hayden-O'Connell)
BornRadius	BornRadius	Born radius
charge	charge	Charge
criticalCompressibilityFactor	criticalCompressibilityFactor	Critical Compressibility Factor
criticalDensity	criticalDensity	Critical Density
criticalPressure	criticalPressure	Critical Pressure
criticalTemperature	criticalTemperature	Critical Temperature
criticalVolume	criticalVolume	Critical Volume
diffusionCoefficient	diffusionCoefficient	Diffusion coefficient
diffusionVolume	diffusionVolume	Diffusion volume
dipoleMoment	dipoleMoment	Dipole Moment
heatOfFusionAtNormalFreezingPoint	heatOfFusionAtNormalFreezingPoint	Heat of Melting at melting point (1.01325 bar)
heatOfVaporizationAtNormalBoilingPoint	heatOfVaporizationAtNormalBoilingPoint	Heat of Vaporization at boiling point (1.01325 bar)
idealGasEnthalpyOfFormationAt25C	idealGasEnthalpyOfFormationAt25C	Ideal gas enthalpy of formation at 25C
idealGasGibbsFreeEnergyOfFormationAt25C	idealGasGibbsFreeEnergyOfFormationAt25C	Ideal gas Gibbs free energy of formation at 25C
energyLennardJones	energyLennardJones	Lennard-Jones energy parameter divided by Boltzmann constant
lengthLennardJones	lengthLennardJones	Lennard-Jones length parameter
liquidDensityAt25C	liquidDensityAt25C	Liquid Density at 25 C
liquidVolumeAt25C	liquidVolumeAt25C	Liquid Volume at 25 C
parachor	parachor	Parachor
gyrationRadius	gyrationRadius	Radius of Gyration
molecularWeight	molecularWeight	Relative molecular mass
StandardEnthalpyAqueousDilution	StandardEnthalpyAqueousDilution	Standard aqueous infinite dilution enthalpy
standardEntropyGas	standardEntropyGas	Standard Entropy of Gas
standardEntropyLiquid	standardEntropyLiquid	Standard Entropy of Liquid
standardEntropySolid	standardEntropySolid	Standard Entropy of Solid
standardFormationEnthalpyGas	standardFormationEnthalpyGas	Standard Formation Enthalpy of Gas
standardFormationEnthalpyLiquid	standardFormationEnthalpyLiquid	Standard Formation Enthalpy of Liquid
standardFormationEnthalpySolid	standardFormationEnthalpySolid	Standard Formation Enthalpy of Solid
standardFreeFormationEnthalpyGas	standardFormationGibbsEnergyGas	Standard Formation Enthalpy of Gas
standardFreeFormationEnthalpyLiquid	standardFormationGibbsEnergyLiquid	Standard Formation Enthalpy of Liquid
standardFreeFormationEnthalpySolid	standardFormationGibbsEnergySolid	Standard Free Formation Enthalpy of Solid
StandardGibbsAqueousDilution	StandardGibbsAqueousDilution	Standard aqueous infinite Gibbs energy
normalBoilingPoint	normalBoilingPoint	Temperature at boiling point (1.01325 bar)
normalFreezingPoint	normalFreezingPoint	Temperature of normal melting point (1.01325 bar)
triplePointPressure	triplePointPressure	Triple Point Pressure
triplePointTemperature	triplePointTemperature	Triple Point Temperature
vanderwaalsArea	vanderwaalsArea	Van der Waals Area
vanderwaalsVolume	vanderwaalsVolume	Van der Waals Volume