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CHEM 4689 - Capstone Project

Awesome Chemistry Web Sites and Directories

ChemSpider is a chemistry search engine. It has been built with the intention of aggregating and indexing chemical structures and their associated information into a single searchable repository and make it available to everybody, at no charge.
This database allows users to search compound identifiers such as chemical name or CAS Registry Number on the NLM ChemIDplus database of over 370,000 chemicals.
Formerly called CCINFOweb. Consists of the following material safety databases maintained by the Canadian Centre for Occupational Health and Safety: MSDS, CHEMINFO, FTSS, RTECS, and OSH References.
Thermochemical data for over 5000 organic and small inorganic compounds. Reaction thermochemistry data for over 8000 reactions. IR spectra for over 7500 compounds. Mass spectra for over 10,000 compounds. UV/Vis spectra for over 400 compounds. Electronic and vibrational spectra for over 3000 compounds. Constants of diatomic molecules (spectroscopic data) for over 600 compounds. Ion energetics data for over 14,000 compounds. Thermophysical property data for 16 fluids.
It provides easy access to NIST scientific and technical data. These data cover a broad range of substances and properties from many different scientific disciplines.
Databases on toxicology, hazardous chemicals, environmental health, and toxic releases.

Subject-specific Web Sites

Organic chemistry:

IUPAC Recommendations on Organic & Biochemical Nomenclature
You can search the database or choose a subject for recommendations on the proper naming of organic compounds.

Physical chemistry:

Kaye & Laby Tables of Physical and Chemical Constants
The entire, unedited contents of the 16th edition (1995), containing tables of data, formulae, graphs and charts. Topics from fundamental constants to fibre optics, superconductivity to Raman spectroscopy, etc. Contents will be regularly reviewed and updated at the (UK) National Physical Laboratory.


  • NCBI databases - The National Center for Biotechnology Information databases allow powerful searching of gene sequences, protein sequences, and much more.
  • Protein Data Bank - "The Protein Data Bank (PDB) archive is the single worldwide repository of information about the 3D structures of large biological molecules, including proteins and nucleic acids."
  • UniProt - "The mission of UniProt is to provide the scientific community with a comprehensive, high-quality and freely accessible resource of protein sequence and functional information."

Chemical Property Data

Classical, Quantum, Nanoscale & Statistical Thermodynamics & Mechanics Data and Property Calculation Sites on the Web
A large listing of internet sites for property calculations. From the Thermodynamics Research Lab, the University of Illinois at Chicago.

NIST Chemistry WebBook
Physical and thermophysical properties - mostly organic compounds.

SDBS - Integrated Spectral Data Base System for Organic Compounds
Search for mass, NMR, FT-IR, laser Raman and ESR spectral data for organic compounds. From the National Institute of Advanced Industrial Science and Technology Tsukuba, Ibaraki, Japan.

Index to selected thermodynamic data handbooks that contain property data.

Chemical Synthesis Database
A searchable database of chemical substances which gives the chemical structure, density, boiling & melting point, CAS registry

Associations and Organizations

American Chemical Society
The American Chemical Society (ACS) is a scientific society based in the United States that supports scientific inquiry in the field of chemistry.

Chemical Abstract Service
Chemical Abstracts Service (CAS) is a division of the American Chemical Society. It is a source of chemical information.

Chemical Heritage Society
The Chemical Heritage Foundation (CHF) is an institution for the history of science.

International Union of Pure and Applied Chemistry
The world authority on chemical nomenclature, terminology, standardized methods for measurement, atomic weights and other critically evaluated data.
The official web site of the Nobel Prize

Nobel Prize Internet Archive
A comprehensive list of Nobel Peace Prize Laureates.

Royal Society of Chemistry
The Royal Society of Chemistry (RSC) is a professional association in the United Kingdom with the goal of "advancing the chemical sciences."


Resources for Chemistry Educators
Link to instructional software can be found in the list on the right-hand side.

Rolf Claessen's Chemistry Index
Well designed web site with links to free and for a fee chemical drawing programs.

WWW Chemistry Guide--Software
A list of chemistry software both commercial & non-commercial.

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