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Basic Property Information
Lange's Handbook of Chemistry
Lists (in tables) the properties of over 4000 organic and 1400 inorganic compounds.
Free chemical structure database providing text and structure search access to over 29 million structures.
Information on the biological activities, properties and structure of small molecules. From the National Center for Biotechnology Information (NCBI).
Knovel - Data Search
Enter your substance name and then drag and drop properties from the right to narrow your results.
NIST Physical Reference Data
Atomic and physical properties of the elements; atomic and molecular spectroscopy; nuclear physics data; condensed matter physics data; and more. A searchable element index combines the data from various sources.
Comprehensive Property Information, Including Spectra and Crystal Structures
SciFinder Scholar This link opens in a new window
Provides access to the following databases: Chemical Abstracts--Chemical literature (journals, patents, books, etc.; 1907 - present); Registry File--Chemical compound information (structure, molecular weight, spectral information, etc.); Medline--Medical literature (journals, books, conferences, etc.; 1958 - present); CASREACT--Information on chemical reactions (1985 - present); CHEMCATS--Chemical sources (i.e., supplier information); CHEMLIST--Regulatory information (1979 - present).
Cambridge Structural Database This link opens in a new window
To install additional software used by this database, see Chris Cahill in the Chemistry Dept. The Cambridge Structural Database (CSD) is a repository of experimentally determined crystal structures of a range of materials and is maintained by the Cambridge Crystallographic Data Centre. Criteria for inclusion require that the compound is small molecule and contains at least one C-C bond. Thus inorganic AND organic materials are represented. CSD does NOT include protein structures.
NIST Chemistry Web Book
Thermochemical data for over 7000 organic and small inorganic compounds; thermochemistry data for over 8000 reactions; IR spectra for over 16,000 compounds; mass spectra for over 33,000 compounds; UV/Vis spectra for over 1600 compounds; electronic and vibrational spectra for over 5000 compounds; constants of diatomic molecules(spectroscopic data) for over 600 compounds; ion energetics data for over 16,000 compounds; thermophysical property data for 74 fluids.
Journal of Physical and Chemical Reference Data
Published for the National Institute of Standards and Technology (NIST) to provide "critically evaluated physical and chemical property data, fully documented as to the original sources and the criteria used for evaluation."
Spectral Database for Organic Compounds
From the National Institute of Advanced Industrial Science and Technology in Japan.
Crystallography Open Database
Open-access collection of crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers
American Minerologist Crystal Structures Database
A crystal structure database including every structure published in the American Mineralogist, The Canadian Mineralogist, European Journal of Mineralogy and Physics and Chemistry of Minerals, as well as selected datasets from other journals.