The following data are required for each compound in the Ideal Thermodynamic Example:

  • Name
  • Chemical formula
  • CAS number
  • Molecular weight
  • Critical properties (for exposing as compound constants)
  • Ideal gas heat capacity correlation, Cp
  • Heat of vaporisation correlation, Δhvap
  • Liquid density correlation, ρL
  • Vapor pressure correlation, Psat

Exposed temperature dependent properties correspond to the above correlations. No pressure dependent properties are exposed. The calculations are only allowed for sub-critical temperatures (see liquid phase description) so only compounds that are sub-critical at reference conditions are available.
For simplicity, all correlations have the same format: a 4th order polynomial. An exception is the vapor pressure correlation, which takes the form of the Antoine equation. Temperature limits will not be included; correlations are assumed valid over the entire temperature range. For all correlations, the temperature derivative, the temperature integral and the integral of the property divided by temperature can be evaluated explicitly.