LibGuides: Properties of Chemicals and Materials: Search By Property

Some databases allow you to search by physical properties (ranges and specific values) to identify potential substances that match your criteria. However, they are only as good as the substances and properties they cover, the search interface and features, and the quality of property data you enter. You may need to cross-search with one or more additional properties if you get too many results. When working with an unknown for a course like CHEM 143C, you may be better off narrowing down to a list of potential compounds, then searching for these compounds to see if the property data confirms what you observed in the lab.

Combined Chemical Dictionary
Basic property data for about 600K compounds, including organic compounds and natural products. Includes Dictionary of Organic Compounds, Dictionary of Natural Products, Dictionary of Drugs, and Dictionary of Inorganic and Organometallic Compounds. There are a limited number of property fields to search, which you can select from the Add Properties list.
Knovel
You can search by properties to find compounds within the handbooks and databases. Includes the Yaws Handbooks, DIPPR Project 801, Knovel Critical Tables, ASM Handbooks, MatWeb Material Data Sheets, Knovel Solvents, and other sources.

From the Material Property Search, select from the more than 100 properties, including mechanical, electrical, optical, thermal, transport, and hazard. Drop and drag the selected properties, then specify a value, a range, or just that data exists.
From the Chemical Materials Search (the NIST database of pure compounds), select from the Filter by Properties option to narrow your results.
MatWeb
Database of 135,000 datasheets for metals, ceramics, plastics, composites, and other engineering materials. You can search up to 3 properties, selecting from a list of more than 100 properties (physical, mechanical, electrical, thermal, descriptive). More advanced searching options may be available with registration.
Properties of Organic Compounds
Property data (including numerical MS, UV and IR peaks) for 29,000 organic compounds. There are a limited number of property fields to search, which you can select from the Add Properties list.
Reaxys
Database of 32 million compounds (plus another 110 million from PubChem and eMolecules), with hundreds of searchable property fields.

Use the Query Builder to create the property search. Drop and drag the desired properties, then add values or ranges as needed. You can also cross-search by structure, substructure, or reaction.
SciFinder
You can search by properties within the CAS Registry database of more than 158 million compounds. Use the Property Search option under Explore by Substance.

There are only about 40 experimental and predicted properties available for searching, but you can only search one at a time. However, you can save individual searches as answer sets, and then combine the answer sets.