getCompoundConstant is used to retrieve compound specific constant values. It can return numeric or string properties.
value=getCompoundConstant(constantName)
constantName
String; name of the compound constants. The following compound constants may be supported, depending on the underlying thermo
system:
| constant name | description | unit of measure |
| casRegistryNumber | CAS registration number | (string) |
| chemicalFormula | Chemical formula, Hill notation | (string) |
| iupacName | IUPAC compound name | (string) |
| SMILESformula | SMILES chemical formula | (string) |
| acentricFactor | Acentric factor | - |
| associationParameter | Hayden-O'Connell association parameter | - |
| bornRadius | Born radius | m |
| charge | Molecular charge | - |
| criticalCompressibilityFactor | Critical compressibility factor | - |
| criticalDensity | Critical density | mol / m3 |
| criticalPressure | Critical pressure | Pa |
| criticalTemperature | Critical temperature | K |
| criticalVolume | Critical volume | m3 / mol |
| diffusionVolume | Diffusion volume | m3 |
| dipoleMoment | Dipole moment | C m |
| energyLennardJones | Lennard Jones energy parameter divided by Bolzman factor | K |
| gyrationRadius | Radius of gyration | M |
| heatOfFusionAtNormalFreezingPoint | Enthalpy change on melting at normal freezing point (101325 Pa) | J / mol |
| heatOfVaporizationAtNormalBoilingPoint | Enthalpy change on vaporization at normal boiling point (101325 Pa) | J / mol |
| idealGasEnthalpyOfFormationAt25C | Ideal gas enthalpy of formation at 298.15 K | J / mol |
| idealGasGibbsFreeEnergyOfFormationAt25C | Ideal gas Gibbs free energy of formation at 298.15 K | J / mol |
| liquidDensityAt25C | Liquid density at 298.15 K | mol / m3 |
| liquidVolumeAt25C | Liquid volume at 298.15 K | m3 / mol |
| lengthLennardJones | Lennard Jones length parameter | m |
| molecularWeight | Relative molecular weight | gr / mol |
| normalBoilingPoint | Boiling point temperature at 101325 Pa | K |
| normalFreezingPoint | Melting point temperature at 101325 Pa | K |
| parachor | Parachor | m3 kg0.25 / (s 0.5 mol) |
| standardEntropyGas | Standard entropy of gas | J / mol |
| standardEntropyLiquid | Standard entropy of liquid | J / mol |
| standardEntropySolid | Standard entropy of solid | J / mol |
| standardEnthalpyAqueousDilution | Standard aqueous infinite dilution enthalpy | J / mol |
| standardFormationEnthalpyGas | Standard enthalpy change on formation of gas | J / mol |
| standardFormationEnthalpyLiquid | Standard enthalpy change on formation of liquid | J / mol |
| standardFormationEnthalpySolid | Standard enthalpy change on formation of solid | J / mol |
| standardFormationGibbsEnergyGas | Standard Gibbs energy change on formation of gas | J / mol |
| standardFormationGibbsEnergyLiquid | Standard Gibbs energy change on formation of liquid | J / mol |
| standardFormationGibbsEnergySolid | Standard Gibbs energy change on formation of solid | J / mol |
| standardGibbsAqueousDilution | Standard aqueous infinite dilution Gibbs energy | J / mol |
| triplePointPressure | Triple point pressure | Pa |
| triplePointTemperature | Triple point temperature | K |
| vanderwaalsArea | van der Waals area | m2 / mol |
| vanderwaalsVolume | van der Waals volume | m3 / mol |
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.
» 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'
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