Site Links:

HiTempThermo Home

Gas-Phase Data

Condensed-Phase Data

Equilibrium Calculation

Industry Pages

Molekel Install

Basis Sets


Software Apps

Administrative Links
Additional Information       Privacy & Security   
[Gas-Phase Data]
Compiled by:
Dr. Mark D. Allendorf
Sandia National Laboratories
Contact ATTN: Mark Allendorf
[Condensed-Phase Data]
Compiled by:
Dr. Theodore M. Besmann
Oak Ridge National Laboratory
Contact ATTN: Ted Besmann
Welcome to a database that provides thermochemistry for gas-phase and condensed species relevant to a wide range of high-temperature processes, including chemical vapor deposition (CVD), chemical vapor infiltration (CVI), catalysis, combustion, materials corrosion, and aerosol processing. Thermochemistry is the foundation for understanding chemical reactions and as such is essential to the development of predictive models for many high-temperature processes.

The database includes thermodynamic data (heats of formation, enthalpies, entropies, and heat capacities) for gas and condensed-phase species, thermodynamic models for specific condensed-phase material systems that account for non-ideal behavior in those systems, and a wide range of calculated molecular properties for gas-phase species.

More info on gas-phase database
More info on condensed-phase database

The database is an expanding document. Data for additional compounds will be added periodically and we will post a notice whenever the website has major additions. We strongly encourage you to join mailing list for two reasons: 1) to be notified automatically of any major additions and 2) to be alerted if any modifications are made to existing data or any problems are discovered. Your email address will not be provided to anyone unconnected with the database, and we do not anticipate sending more than a few emails per year.

Questions and comments regarding the database can be sent to website admin.
[OIT] [IMF] This work is sponsored by the Industrial Materials for the Future section of the DOE Industrial Technologies Program.

Dr. Mark D. Allendorf
Sandia National Laboratories
Livermore, CA 94551-0969
Dr. Theodore M. Besmann
Surface Processing and Mechanics Group
Oak Ridge National Laboratory
P.O. Box 2008
Oak Ridge, TN 37831-6063