ThermoML

Purpose

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 newest format, and a ThermoML Opener which can be used to convert ThermoML files into Excel files easily.

The files are posted here through the cooperation between the TRC and:

The ThermoML files corresponding to articles in the journals are availible here with permission of the journal publishers.  It is anticipated that this cooperation may be expanded to include other journals in the future.

Features

• International Union of Pure and Applied Chemistry (IUPAC) Standard XML structure (IUPAC ) (2006 version) (2011 version)

• Well structured data format that can be utilized for machine to machine communication (

• Human readable files that include uncertainties, measurement methods, constraints and reference information for every datapoint.

THERMOML Literature and schema download

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.

NIST THERMOML CITATION EXAMPLE

In text:

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

In a list of References:

1. Frenkel,M.;  Chirico, R.D.: Diky,V,;  Dong, Q.; Marsh,K.N.; Dymond,J.H.; Wakeham,W.A.; Stein, S.E.; Koenigsberger E.;   Goodwin, A.R. “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