ThermoML is an XML-based IUPAC Standard for storage and exchange of thermophysical and thermochemical property data. ThermoML was developed initially within IUPACProject 2002-055-3-024 and later extended under the IUPAC project 2007-039-1-024. The namespace, ThermoML, has been reserved by IUPAC; the resultant ThermoML XML schema definition (XSD) contains all supported elements and is available in the data.nist.gov entry (see links to the left). In brief, each ThermoML file contains a single Citation entry containing metadata corresponding to the published article along with all compounds (with associated sample metadata) with experimental data supported by the XSD. Data points are assigned expanded uncertainties for 0.95 level of confidence. The uncertainties of the values include both propagated uncertainties of the variables and internal TRC estimates based on the method used and data consistency. The ThermoML archive contains property data for organics systems from the initial publisher announcement of electronic data submission (see references below) to TRC through the 2019 calendar year as present in SOURCE on 9/30/2020 for five major journals listed on the left.
Beyond adding new data, TRC thermophysical and thermochemical data holdings change daily. Often, errors in published data are corrected as the information is improved. Occassionally and despite the peer-review process, published data are determined to be flawed without the possibility of correction. TRC works with the cooperating journals directly to minimize those errors during the review process. In fact, we have observed a reduction in data errors due to the role of TRC: error rates for cooperating journals are lower than the time prior to cooperation with TRC; error rates for cooperating journals are lower than other journals. Information about whether a point is flawed or corrected is not included in this archive. Thus, this data archive is necessarily imperfect. Please read the Liability Statement below before using this resource. With each release, all files will be removed and then the entire archive will be refreshed to be up to date with TRC holdings at the time of release. Please reach out to us if you find issues with data in the archive or need additional sources of data.