Generation of recommended thermodynamic and transport property data with enforced thermodynamic consistency for pure chemical compounds based on:
- Published experimental data stored in a program database
- Predicted values based on the molecular structure
- User supplied data (optional)
The Evaluation Process is carried out one compound at a time, and is completed for all properties at once. After evaluation, results for specific properties can be found.
The focus of version 2.0 is pure organic compounds comprised of the elements: C, H, N, O, F, Cl, Br, I, S, and P.
Program Outputs and Formats
The program output is evaluated data in the form of:
- Parameters for fitted equations with covariance matrices
- Tables of recommended values with uncertainties.
Program output can be saved as a plain text file or in ThermoML format (See http://trc.nist.gov/ThermoML.html).
