Physical properties

Selection of molecules and physical properties for parameterization and benchmarking of force fields.

Current resources:

  • NIST ThermoML – ThermoML is an XML-based IUPAC standard for storage and exchange of experimental thermophysical and thermochemical property data.

  • DIPPR – DIPPR® 801 Database contains recommendation values and estimates of accuracy for 34 constant properties and 15 temperature-dependent properties for compounds of interest to entities involved in manipulating chemicals for new products and manufacturing processes. 

The label used to display the content on this page is physprop-datases. Please tag every child page of the Physical properties page with this label to have a clear overview of the content.