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Databases for Chemists and Chemical Engineers: Structure, Property & Spectral Databases

A collection of databases for locating articles, physical and chemical properties, spectra and other information of interest to chemists and chemical engineers. Many of the databases are limited to Vanderbilt faculty, students and staff.



Databases with an * after the name are accessible only to Vanderbilt students, faculty and staff.

ASM Handbooks Online*   Includes the complete
content of 20 ASM Handbook volumes plus two ASM Desk editions.

The Binding Database  A public database of measured binding affinities for biomolecules and synthetic compounds.

Brenda  the comprehensive enzyme information system.

ChemBank: Initiative for Chemical Genetics.   A freely available
    collection of data about small molecules and resources. The project is currently in an
    early stage and will be adding tools and data frequently.

Chemical Kinetics Database on the Web   Version 7.0 (Web Version) Release 1.4.  NIST Standard Reference Database 17. A compilation of kinetics data on gas-phase reactions.

ChemSpider  A free chemical database, sponsored by the Royal Society of Chemistry. Provides quick access to over 26 million structures, properties, and associated information.

DETHERM Database - Database of properties of pure substances and mixtures. Although Vanderbilt doesn't subscribe, searching is free. Results give reported properties, component names, temperatrue and pressure range, number os data lines, year of publication, and cost of downloading a dataset. One portion of this database is the Dortmund Database.

DIPPR Project 801*  Interactive, Knovelized 2011 Update Evaluated Standard Thermophysical Property Values.

IUPAC-NIST Solubility Database  Version 1.0.  A database containing solubilities originally published in 11 volumes of the IUPAC - NIST Solubility Data Series.

Knovel*  Online interactive books and databases.

MatNavi : NIMS Materials Database   MatNavi is an integrated material database system comprising ten databases, four application systems and the NIMS Structural Datasheet Online. It is one of the largest databases in the world for materials, Free to use, requires registration

MatWeb   searchable database of material properties includes data sheets of thermoplastic and thermoset polymers such as ABS, nylon, polycarbonate, polyester, polyethylene and polypropylene; metals such as aluminum, cobalt, copper, lead, magnesium, nickel, steel, superalloys, titanium and zinc alloys; ceramics; plus semiconductors, fibers, and other engineering materials

NDRL/NIST Solution Kinetics Database on the Web A compilation of kinetics data on solution-phase reactions

NIST Chemistry WebBook  NIST Standard Reference Database no.69.  June 2005 release.
    Provides thermochemical, thermophysical, and ion energetics data compiled under the National Standard 
    Reference Data Program.

NIST-TRC Web Thermo Tables  A Web version of the TRC Thermodynamic Tables, represents a complete collection of critically evaluated thermodynamic property data primarily for pure organic compounds

NIST X-ray Photoelectron Spectroscopy Database  NIST Standard Reference Database no.20, Version 3.4 (Web Version)

NMRShiftDB An open access, open submission, open source
    NMR database for organic structures

Opsin - a program for converting chemical names to structures

Protein Data Bank (PDB)   An information portal to biological macromolecular
    structures. a variety of tools and resources for studying the structures of biological macromolecules and their
    relationships to sequence, function, and diseases

PubChem  A database of information on biological properties of small molecules

Reaxys*  A database combining the content of three familiar databases, CrossFire Beilstein, CrossFire Gmelin and Patent Chemistry Database. It includes chemical reactions, chemical substances and measured substance property data from selected core chemistry journals from 1771 forward and from selected organic chemistry patent publications. New features include a synthesis planner and the ability to generate a structure query from a name

Research Information Database (RIO-DB)    including Molecular Spectroscopic Constants Database; Spectral Database for Organic Compounds
 (SDBS); and Supercritical Fluid Data Base

WebCSD  - Web version of the Cambridge Structural Database. We also have a license for the client software that power users can check out from the library and install on their own computer.

Updated August 31, 2014


To get help with any of these databases, or if you have problems logging in contact:

  • Science and Engineering Library Service Desk
  • 3218 Stevenson Center
  • Reference: 322-2775


Chemical Identifiers

InChI - International Chemical Identifier
A string of characters capable of uniquely representing a chemical substance