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NIST
The NIST Chemistry WebBook provides online property data for chemical species.
About NIST
The NIST Chemistry WebBook provides online chemical and physical property data for chemical species. Data are organized by chemical species and come from collections maintained by the NIST Standard Reference Data Program and outside contributors.
Users can search for species by means such as formula, name, IUPAC identifier, CAS registry number, structure, and molecular weight, then view data for the identified species. Data include thermochemical properties of species and reactions, thermophysical properties, and optical, electronic and mass spectra. NIST notes it reserves the right to charge for access to this database in the future.
Key features
- Search species by formula, name, IUPAC identifier, CAS registry number
- Search by structure, reaction, author, and molecular weight
- Physical property based searches and ion energetics properties
- High accuracy thermophysical data for select group of fluids
- Estimate gas-phase thermodynamic properties from submitted structure
- Locate species with formula browser using Hill order
Best for: People who need chemical and physical property data for specific chemical species.
Good for
- Data organized by chemical species
- Multiple search methods including formula, name, CAS number, and structure
- Covers thermochemical, thermophysical, and spectral data
Watch out for
- NIST states it may charge for access in the future
- High-accuracy fluid thermophysical data covers only a select group of fluids
NIST at a glance
- Website
- webbook.nist.gov/chemistry
- Category
- Education & Learning › Science Learning
- Type
- Website
- Pricing
- Not confirmed. Check the site
- Platforms
- Web
- Open source
- Not stated
- Language
- English
- Last checked
- Oct 5, 2026 · Online when checked
- Listed
- Oct 5, 2026
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