Searching for a compound
There are many ways you can describe a compound in order to search for it within a database. Consider your options and what types of descriptions the particular database will accept. If you get zero results, try another way before moving on to another resource.
Chemical name/synonyms
Common/trivial name
Molecular formula
Empirical formula
Structure
CAS Registry Number
For example, consider ethanol:
ethanol
ethyl alcohol
ethyl hydroxide
C2H6O
H3C-CH2-OH
CAS# 64-17-15
Try First - Chemical and Physical Properties
These resources collect information on the most commonly encountered compounds and their most basic properties. If you are not finding an entry under the first chemical name that you try, try another synonym for that same compound or in the case of some of the sources, draw the structure of the compound you are looking for. Then try one of the more comprehensive sources (other tabs) or contact the Chemistry Liaison if you are still having trouble finding the data you need.
- CRC Handbook of Chemistry and PhysicsThe most accurate, reliable, and current resource available on data needed by chemists, physicists, and engineers. Provides wide coverage of data on properties of inorganic and organic compounds.
- Knovel Library This link opens in a new windowHandbooks and other information on chemistry and engineering. Topics include textiles, adhesives, metals, plastics, and other materials; biotechnology; food science; pharmaceuticals; industrial safety; aerospace; and most areas of engineering. Individual titles are listed in Virgo.
- SciFinderSciFinder often provides both experimental and calculated data for individual compounds. Search for chemical data using a molecular formula, chemical name, chemical structure, reaction components, author name, or topic of interest.
- NIST Chemistry WebBookDatabase of critically-evaluated physical property data from collections maintained by the National Institute of Standards (NIST) Standard Reference Data Program and outside contributors. [Allows structure searching.]
- Millipore Sigma (Aldrich) Product CatalogSales 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.]
- ChemSpiderChemSpider is a free chemical structure database providing fast text and structure search access to over 56 million structures from hundreds of data sources.
And 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. But before you use these resources, please consider the following when searching each source.
- Wikipedia: WikiProject ChemicalsThis 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 16,000 compounds found in Wikipedia, over 4,000 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.
- Wolfram AlphaWA 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 justify your data from a reliable & credible source, try one of the other resource above instead