Chemical Databases
Links
Chemical Abstracts Service (CAS)
World's largest and most comprehensive chemical database with over 21 million document records and 37 million substances listed.
Chemical Kinetics and Thermochemistry Database for High-Temperature Materials Synthesis
http://www.ca.sandia.gov/crf/03_collaboratories/ThermoKinData/index.html
Free database containing thermochemistry data for over 400 compounds relevant to high-temperature processes used in materials synthesis. Searching by molecular formula.
ChemIDplus
http://chem.sis.nlm.nih.gov/chemidplus/
A free database of 350000 chemical compounds. Records consist of name, synonyms, CAS number, molecular formula, and direct links to biomedical resources. Included also over 100000 structures. Searchable by substructure with free Chime plugin.
CHEMnetBASE
Online access to major chemical reference works from Chapman & Hall/CRC including Combined Chemical Dictionary (CCD), The Handbook of Chemistry & Physics, Polymers: A Property Database, Properties of Organic Compounds.
CML Reference Collection
http://www.randomfactory.com/cml.html
Commercial database of more than 120,000 3D molecular structures expressed in CML (Chemical Markup Language) format.
DDBST - Dortmund Data Bank and DDB Software Package
Database of thermodynamic and transport properties of pure components and mixtures for use in process design and development and related software package.
Derwent Information
http://www.derwent.com/chemistry/
Chemical, pharmaceutical and biotechnological databases, covering patents, journals and conferences.
DETHERM Thermophysical Properties
http://i-systems.dechema.de/detherm
Thermophysical properties of pure substances and mixtures. Phase equilibrium data, caloric data, critical data, transport properties, electrolyte data. Data sets with descriptors and bibliographic references.
DIPPR (Design Institute for Physical Property Data) Project 801
Compilation of reliable physical, thermodynamic, and transport properties for 1,793 industrially important chemical compounds with 44 properties. The database is sponsored by AIChE.
Engineering Chemistry Databases
The largest numeric database system in China for chemical, petrochemical, metallurgical industries. Provides experimental data, reference information. Can also perform data estimation.



