capeOpenCompoundConstant

Get values for a given compound constant for all compounds in a package. The list of compounds in the package can be obtained using capeOpenCompounds. A list of supported compound constants can be obtained using capeOpenCompounds.

Syntax

values=capeOpenCompoundConstant(handle,propertyName)

Arguments

handle: package handle, as obtained from capeOpenGetPackage

propertyName: property to obtain

Returns

values: for a string constant, this will be a column vector of strings. Otherwise, a row vector of real values. The number of elements in the vector will match the number of compounds in the package.

Example

 
» handle=capeOpenGetPackage('TEA (CAPE-OPEN 1.1)','C1_C2');
» capeOpenCompounds(handle)

ans = 

    'Methane'
    'Ethane'

» capeOpenConstantList(handle)

ans = 

    'molecularWeight'
    'diffusionVolume'
    'triplePointPressure'
    'heatOfVaporizationAtNormalBoilingPoint'
    'heatOfFusionAtNormalFreezingPoint'
    'idealGasGibbsFreeEnergyOfFormationAt25C'
    'idealGasEnthalpyOfFormationAt25C'
    'criticalTemperature'
    'criticalPressure'
    'criticalVolume'
    'criticalCompressibilityFactor'
    'parachor'
    'gyrationRadius'
    'vanderwaalsVolume'
    'vanderwaalsArea'
    'energyLennardJones'
    'lengthLennardJones'
    'criticalDensity'
    'acentricFactor'
    'dipoleMoment'
    'normalBoilingPoint'
    'normalFreezingPoint'
    'casRegistryNumber'
    'SMILESformula'
    'chemicalFormula'
    'charge'

» capeOpenCompoundConstant(handle,'molecularWeight')

ans =

   16.0430   30.0700

» capeOpenPropUnit('molecularWeight')

ans =

gr / mol

» capeOpenCompoundConstant(handle,'chemicalFormula')

ans = 

    'CH4'
    'C2H6'

» capeOpenCompoundConstant(handle,'vanderwaalsVolume')

ans =

  1.0e-004 *

    0.1705    0.2734

» capeOpenPropUnit('vanderwaalsVolume')

ans =

m3 / mol

» capeOpenSetBasis('mass')
» capeOpenCompoundConstant(handle,'vanderwaalsVolume')

ans =

    0.0011    0.0009

» capeOpenPropUnit('vanderwaalsVolume')

ans =

m3 / kg