NIST Therm/Est

This NIST software provides a semi-automated means of carrying out additivity-type estimation schemes for thermodynamic properties of organic molecules at 298.15 K in the gas, liquid, and solid phases. A database with experimental data for over 1,500 compounds is included.

Thermodynamic properties calculated are:

• enthalpy of formation
• heat capacity
• entropy
• entropy of formation
• Gibbs energy of formation
• equilibrium constant for the formation reaction

The thermodynamic properties have been developed for the gas, liquid, and solid phases. Data are provided for compound types: alcohols, diols, triols, phenols, linear, branched and cyclic ethers, aldehydes, ketones, etc.

The user is offered the option of retrieving data in energy units of joules, calories, or British Thermal Units. Other features are the capacity to search the database by compound name or formula and a bibliography containing nearly 1000 references.

Price