Library: Chemistry: Chemical Property data

Find chemical and physical properties

Combined Chemical Dictionary by John B. Buckingham (Editor); Fiona Macdonald (Editor)
Includes Dictionary of Organic Compounds, Dictionary of Inorganic Compounds, Dictionary of Organometallic Compounds and more.
The Merck Index Online
Provides data for over 12,000 compounds, mainly organic.
CRC Handbook of Chemistry and Physics by John Rumble (Editor)
Provides data for approximately 20,000 organic and inorganic compounds.

IMPORTANT NOTICE: ACD/i-Lab has been withdrawn from the PSDS platform. Propersea, a new property prediction tool has been developed since. If you are aware of a better free alternative, please let us know.

Spectroscopy

NIST Chemistry WebBook This link opens in a new window
Thermochemical and spectral data from NIST.
Spectral Database for Organic Compounds, SDBS This link opens in a new window
Free database of MS, NMR, FT-IR, ESR and Raman spectra for over 34,000 compounds.

Crystallography

Inorganic Crystal Structure Database (ICSD) This link opens in a new window
Crystal structures of approximately 160,000 inorganic compounds.
Note: You now need to be logged in to access the resource:
1. From the PSDS homepage, click on the Log in option in the top-right hand corner.
2. Search for University of Bath under 'Access through your institution'.
3. Login via Single Sign-On when prompted.
4. Once logged in, access ICSD by clicking on the appropriate tile.
WebCSD This link opens in a new window
Web access to Cambridge Structural Database, with access to over 900,000 organic and organometallic crystal structures.

Find less common properties

Knovel This link opens in a new window
Searchable full text access to over 4,000 leading handbooks, databases, encyclopedia and reference books across all engineering disciplines. Knovel also provides tools to analyse and display data found.

Knovel videos
Videos from Elsevier showing how to use Knovel to find material properties, how to use interactive graphs, etc.
Register to use SciFinder-n

SciFinder-n This link opens in a new window
SciFinder-n is a new version of SciFinder, the largest index to chemistry and related literature. Search by topic, author, compound name, molecular formula or structure.
Reaxys This link opens in a new window
Index to chemistry literature. Search by topic, author, compound name, molecular formula or structure. Includes Reaxys Medicinal Chemistry.
Detherm This link opens in a new window
Thermophysical property data for compounds and mixtures.
Note: You now need to be logged in to access the resource:
1. From the PSDS homepage, click on the Log in option in the top-right hand corner.
2. Search for University of Bath under 'Access through your institution'.
3. Login via Single Sign-On when prompted.
4. Once logged in, access Detherm by clicking on the appropriate tile.

Properties of the chemical elements

WebElements
Properties of the chemical elements.