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Searching by Properties

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critically evaluated data Critically evaluated data
recommended resource Recommended

organics Organics
inorganics Inorganic/Metal Compounds
polymers Polymers

Searching by Properties

Most database tools assume you are searching for properties of a known substance. However, sometimes you may need to search for unknown substances that share certain property parameters. Here's a summary of tools that allow this kind of searching, with their advantages and disadvantages.

Tool Description Caveats Tips
Combined Chemical Dictionary
organics inorganics U.T. restricted
Covers around 600,000 organic, inorganic, and organometallic compounds plus natural products. Not many numeric data fields are available. CCD is mainly a database for identification, structure, and bibliographic information. Click the "Add Property" button to select fields not in the basic search form.
CRC handbook of chemistry and physics.
organics inorganics U.T. restricted recommended resource
The best known standard handbook in chemistry contains a multitude of tables in interactive or PDF format. Not all data are interactively searchable. Only about 22 property choices are available, and the number of compounds covered varies widely depending on the property needed. Use the Structure/Property search form to select property field(s) and enter the desired property values/ranges.
organics critically evaluated data U.T. restricted recommended resource
Search by upper and lower values of a selected property. Data are critically evaluated and graph-able. Not possible to search multiple properties at once. DIPPR only covers about 1800 pure organic compounds important to the chemical industry. Click on the "Property" button to begin.
Properties of Organic Compounds
organics U.T. restricted
Covers about 29,000 important organic compounds. The data fields available are MP, BP, density, refractive index, specific rotation, and spectral peaks. Range searching is not possible. The interface is antiquated and is no longer updated. You can search multiple values using the OR operator within a single field.
organics inorganics U.T. restricted recommended resource
By far the largest source of literature-derived experimental property values for millions of organic and inorganic compounds, with many searchable property fields. Complex searches are possible. The interface is sometimes not intuitive. Consult the Help pages for examples, units, and field descriptions. The Physical Properties box allows you to choose fields and then enter values or ranges (using a hyphen). Due to the large volume of data, property ranges should be relatively narrow, and ideally combined with other search parameters (such as a substructure or multiple property fields) to make results more manageable.
SciFinder - Registry
organics inorganics polymers U.T. restricted
Millions of compounds in the Registry file contain experimental or calculated property values. Only a few properties are searchable, and none are thermodynamic. The scope of experimental properties in Registry is not particularly deep or wide. Calculated properties are mainly for drug discovery purposes. You can Explore by Substance and enter specific property values or ranges to retrieve matching compounds. You can also limit a substance answer set by selected property parameters.


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