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  =
 
    16.042999    30.07  
 
-->capeOpenPropUnit("molecularWeight")

 ans  =
 
 gr / mol   
 
-->capeOpenCompoundConstant(handle,"chemicalFormula")

 ans  =
 
!CH4   !
!      !
!C2H6  !

-->capeOpenCompoundConstant(handle,"vanderwaalsVolume")

 ans  =
 
    0.0000170    0.0000273  
 
-->capeOpenPropUnit("vanderwaalsVolume")

 ans  =
 
 m3 / mol   
 
-->capeOpenSetBasis("mass")
 
-->capeOpenCompoundConstant(handle,"vanderwaalsVolume")

 ans  =
 
    0.0010628    0.0009092  
 
-->capeOpenPropUnit("vanderwaalsVolume")

 ans  =
 
 m3 / kg