ThermoML

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

The ThermoML Archive contains links to XML files stored in the IUPAC standard created through cooperation with the Thermodynamics Research Center at NIST. These files represent experimental thermophysical, thermochemical, and transport properties reported in the corresponding articles published by the major journals in the field.

TRC also has a ThermoML Updater to update older files to the current format, and a ThermoML Opener which can be used to convert ThermoML files into Excel spreadsheets.

Files in the ThermoML Archives are available with permission of the journal publishers.

Current cooperating journals include:

Features

• Standardized IUPAC-recommended XML structure (2006 version) (2011 schema)
• Well-structured data format supporting machine to machine communication
• Human-readable data format including uncertainties, measurement methods, constraints, and bibliographic information for every data point.

Literature & schema

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

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

Citation Guide

TRC requests that works utilizing ThermoML Archive data include citations.

In-text:

Data distributed through the [Journal(s) here] ThermoML Archive(s).

Bibliography:

M. Frenkel, R.D. Chirico, V. Diky, Q. Dong, K.N. Marsh, J.H. Dymond, W.A. Wakeham, S.E. Stein, E. Koenigsberger, A.R. Goodwin.“XML-Based IUPAC standard for experimental, predicted, and critically evaluated thermodynamic property data storage and capture (ThermoML)", Pure and Applied Chemistry, Vol 78 (3), 541-612, 2006, doi: 10.1351/pac200678030541