Chemistry: Properties & Spectra

An essential reference tool for scientists, this handbook includes constants, properties information for elements and compounds, and more. The most current edition is available online. Search by text.
* NEW: Search by structure and/or property!

MatWeb provides searchable data sheets for over 90,000 polymers, plastics, metals, alloys, ceramics, semiconductors, fibers, and engineering materials.

The Merck Index is an encyclopedia of chemicals, drugs, and biologicals that contains more than 10,000 monographs. Each monograph in this authoritative reference source is a concise description of a single substance or a small group of closely related compounds. Search by text, property, or structure. Browse named reactions or tables.

This FREE site includes physical property data compiled by the National Institute of Standards (NIST) under their Standard Reference Data Program. In addition to thermodynamics (thermochemical, thermophysical, ion energetic) date, IR, mass, and UV/Vis spectra is also available.

Thermodynamic literature and properties, including those for binary and ternary systems. FREE!

The Pesticide Action Network of North America compiled this database: http://www.panna.org/ "The PAN Pesticide Database brings together a diverse array of information on pesticides from many different sources, providing human toxicity (chronic and acute), ecotoxicity and regulatory information for about 6,400 pesticide active ingredients and their transformation products, as well as adjuvants and solvents used in pesticide products." See http://www.pesticideinfo.org/Docs/data.html for more information.

PubChem is a FREE resource that provides information on the biological activities of small molecules. It is organized as three linked databases within the NCBI's Entrez information retrieval system. These are PubChem Substance, PubChem Compound, and PubChem BioAssay. PubChem also provides a fast chemical structure similarity search tool.

Basic property data (sometimes even spectra) is provided for FREE!

Free resources compiled by Rich Apodaca, PhD, in 2011. 56 of the 64 databases links were still active as of Oct. 2017, and there are resources covering physical and spectral data, biological activity, drugs, pesticides, and biochemistry, to name a few.

Formerly Kaye & Laby, now by the UK National Physical Laboratory, this resource is now available online for FREE. Thermodynamic, electrical, mechanical, acoustical data are just some of the types of data. All charts, tables, formulas, and graphs are included. (From Chemical Information for Chemists, Ed. Currano & Roth, 2014.)

KnowItAll from Bio-Rad offers academic users free software to "...draw structures, perform IR and Raman functional group analysis, and generate high-quality reports." Download from the above link. For more information, see http://www.bio-rad.com/en-us/category/products/spectral-databases

This FREE site includes physical property data compiled by the National Institute of Standards (NIST) under their Standard Reference Data Program. In addition to thermodynamics (thermochemical, thermophysical, ion energetic) date, IR, mass, and UV/Vis spectra is also available.

Basic property data (sometimes even spectra) is provided for FREE!

SDBS is a FREE integrated spectral database system for organic compounds,which includes 6 different types of spectra under a directory of the compounds. The 6 spectra are as follows:
- electron impact Mass spectrum (EI-MS)
- Fourier transform infrared spectrum (FT-IR)
- 1H nuclear magnetic resonance (NMR) spectrum
- 13C NMR spectrum
- laser Raman spectrum
- electron spin resonance (ESR) spectrum