Finding Thermodynamic and Physical Property Data
Where to Start
- CRC handbook of chemistry and physics.
- Published annually by CRC Press. Recent editions on the Handbook Table.
- Almost every data search on a chemical property should begin in the CRC. In the printed handbook, consult the index under the property in question.
- DIPPR Physical and Thermodynamic Properties
- The Design Institute for Physical Property Data (DIPPR) Project 801 database consists of experimental data and correlations of temperature-dependent properties for over 1,800 pure chemicals, mostly organic, with a couple hundred inorganic as well. Collected data have been evaluated, correlated, and checked for thermodynamic consistency. From this site, you can view data sets, DIPPR-approved property constants, and regressed correlation coefficients for temperature-dependent properties, as well as calculate temperature-dependent properties in any set of units. Searchable by chemical name, CAS registry number, empirical and structural formulas, and numeric property ranges.
- Knovel Critical Tables
- This interactive site contains tables of physical, solvent, and thermodynamic properties. The physical property tables include over 21,000 inorganic and organic compounds. Some tables make use of an interactive Equation Plotter to plot thermodynamic properties as a function of temperature.
- NIST Chemistry WebBook
- A free web site providing reliable thermophysical and spectral data for a few thousand important compounds. Much of the data is derived from prior NIST/NBS publications. Searchable by name, CAS registry number, formula, molecular weight, etc.
- NIST-TRC Web Thermo Tables
- The TRC Thermodynamic Tables database (WTT) offers a collection of critically evaluated thermodynamic property data for over 23,000 pure organic compounds. Searchable by name/segment, formula, and molecular weight. Recommended values can be plotted (Adobe Flash plugin required).
- The Beilstein and Gmelin databases contain a vast amount of factual data for chemical compounds gathered from the journal and patent literature. Search for a compound by structure, name, or CAS Registry number, then see the Details table for a list of data fields available for that substance.
- SciFinder - Registry
CAS has added an array of calculated and experimental property data to selected substance records in their Registry database. The calculated properties are primarily of use to pharmaceutical chemists: boiling point, melting point, density, logD, logP, H acceptors/donors, molecular weight, optical rotary power, pKa, refractive index, and solubility. Many types of experimental properties have also been added under a separate tab, with corresponding references to the source literature for each. Start in the Explore Substances tab, search for a compound by structure, name/synonym, molecular formula, or CAS Registry number, and then click on the Substance Detail link. You can also search for substances directly using property values, or enter values to refine an existing substance answer set.
- Thermophysical Properties of Matter TPMD
- TPMD covers 60 properties of nearly 5000 inorganic, metal, and composite materials and alloys, totaling nearly 50,000 data curves and 21,000 data sets. You can browse or search by material or property. (CINDAS)
- ThermoDex is a finding aid for more than 300 specialized property handbooks and compilations, searchable by type of compound and name of property. Most compilations indexed in ThermoDex are in printed form, and must be consulted in the library. ThermoDex is a meta-index and does not contain the actual data.
Finding Data 101 (Tutorial)