Data Files

Journal of Chemical & Engineering Data

The Journal of Chemical Thermodynamics

Fluid Phase Equilibria

Thermochimica Acta

International Journal of Thermophysics

(Other journals may be listed here as agreements are made in the future.)

Please read the
Liability Statement

ThermoML Representation of Published Experimental Data

This page contains links to ThermoML files, which represent experimental thermophysical and thermochemical property data reported in the corresponding articles published by major journals in the field. These files are posted here through cooperation between the Thermodynamics Research Center (TRC) at the National Institute of Standards and Technology (NIST) and the journal publishers. This project is now underway with data published by the Journal of Chemical and Engineering Data (JCED), the Journal of Chemical Thermodynamics, Fluid Phase Equilibria, Thermochimica Acta, and the International Journal of Thermophysics. The ThermoML files corresponding to articles in the journals are available here with permission of the journal publishers. It is anticipated that this cooperation may be expanded to include other journals in the future.

ThermoML — an XML-based IUPAC Standard for storage and exchange of experimental thermophysical and thermochemical property data — was fully described (Pure Appl. Chem., 2006, 78, 541-612). Supporting information for this article includes several examples illustrating the use of ThermoML to process experimental data for pure compounds, mixtures, and chemical reactions as well as the initial ThermoML specification. The framework of the schema has previously been described elsewhere (J. Chem. Eng. Data, 2003, 48, 2-13). Extensions to the ThermoML schema for the expression of uncertainties were described (J. Chem. Eng. Data, 2003, 48, 1344-1359 & Supporting information), as were extensions for representation of critically evaluated data, predicted data, and Equation Representation (J. Chem. Eng. Data, 2004, 49, 381-393 & Supporting information). Supporting Information documents for these articles include examples illustrating application of the new extensions. As ThermoML evolves, this site maintains the current ThermoML specifications.

ThermoML has been developed within IUPAC Project (2002-055-3-024): XML-based IUPAC Standard for Experimentally and Critically Evaluated Thermodynamic Property Data Storage and Capture. The namespace, ThermoML, has been reserved by IUPAC.

TRC is committed to providing support to the individual users or organizations interested in converting the ThermoML files to their particular applications.

The numerical values and all metadata were checked for completeness and accuracy of representation at NIST/TRC, but were not critically evaluated in any way.

Liability Statement:

The data and other information in these computer files have been carefully extracted from the original articles by the authors and were checked for completeness by NIST/TRC personnel before posting. Neither the Journal publisher, nor its editors, nor NIST/TRC warrant or represent, expressly or implied, the correctness or accuracy of the content of information contained in these files, nor its fitness for any use or for any purpose, nor can they, or will they, accept any liability or responsibility whatever for the consequences of its use or misuse by anyone. In any individual case of application, the respective user must check the correctness by consulting other relevant sources of information.