LibGuides: Chemical & Physical Property Information: Core Sources

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These resources collect information on the most commonly encountered compounds and their most basic properties.

If you have trouble finding the chemical name, try using a synonym for that same compound. Or draw the structure of the compound you are looking for (NIST, ChemSpider).

If either of those don't succeed, try the add'l sources tab listed to the left.

CRC Handbook of Chemistry and Physics
A good place to start. Besides data, find basic constants, units and conversion factors; general health and safety information; and mathematical tables, etc.
The Merck Index
Descriptive information on 10,000+ chemicals, drugs (human and veterinary), and biologicals. Each entry lists synonyms for drug names (trade, chemical, generic, and research codes), CAS Registry Numbers, physical data, patent information, uses, toxicity, and bibliographic citations on synthesis, pharmacology, and toxicology.
Sigma-Aldrich Chem Product Central
Sales information, but also basic property data (including, often, various spectra) and key references to other important data resources, including the Beilstein Handbuch. Search in the top right. [Allows structure searching.]
ChemSpider
ChemSpider is a free chemical structure database providing fast text and structure search access to over 29 million structures from hundreds of data sources.

What About Wikipedia and Wolfram Alpha?

Both Wikipedia and Wolfram Alpha can be quick and easy to seach when it come to chemical and physical properties. Before you use these resources, consider the following:

Wikipedia: WikiProject Chemicals
This WikiProject is meant to standardize information about chemicals found on Wikipedia and to improve the quality of the information available. A compounds rating indicates how reliable the information is. For example, for the over 8000 compounds found in Wikipedia, nearly 2500 are unassessed--meaning the information cannot be verified. Common compounds may have reliable info, but it is best to verify the data found with another source listed above, especially for more uncommon substances.
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Currently (November 2013) only 16 compounds meet the highest level of quality by Wikipedia standards. Make sure the databox for your compound has a green check, meaning the data has been validated. Also note that many of the Wikipedia articles cite the suggested resources listed above, so why not start with them in the first place?
Wolfram Alpha
WA contains a wide variety of data on many chemical compounds. However, WA's major flaw is that it DOES NOT tell you the specific source of the data presented. WA claims to have a proprietary database of data gathered from various sources. While these sources are often listed, you can not be certain where a particular boiling point or heat capacity came from. When you need to cite an exact source or to justify your data from a reliable & credible source, use one of the other resources above instead.

Compound Searches

There are many ways you can describe a compound in order to search for it within a database:

Systematic Name (IUPAC, ACD)

Synonyms

Common Names

Molecular Formula

CAS Registry Number

Structure

For example, consider ethanol:

Ethanol, Ethyl Alcohol

Ethyl Hydroxide, Ethyl Hydrate, Anhydrol, Tecsol

Grain Alcohol, Alcohol

C₂H₆O

64-17-5

Consider your options and what types of descriptions a particular database will accept.

If you get no results, try another synonym or another description, before moving on to another resource.

Chemical & Physical Property Information

Instruction and Reference Librarian

Thank You

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What About Wikipedia and Wolfram Alpha?

Compound Searches