Chemistry: Properties, Spectral, Crystallographic & Safety Information

Subscription sources

SpringerMaterials - provides curated data and advanced functionalities to support research in materials science, physics, chemistry, engineering, and other related fields. Included are the Landolt-Börnstein New Series, the Linus Pauling Files and other integrated resources.

Cambridge Structural Database - A highly curated and comprehensive resource that is essential to scientists around the world. Established in 1965, the CSD is the world's repository for small-molecule organic and metal-organic crystal structures.

Cambridge Structural Database User Manual

Knovel Critical Tables - Featuring critical physical properties of more than 13,000 chemical compounds. Most of the tables are in searchable PDF format. Updated on a regular basis.

ChemDraw - ChemDraw is a scientific productivity suite designed for students, faculty and researchers in chemistry major, biochemistry, microbiology. OSU provides access to the site license for this software at http://sitelicense.cambridgesoft.com/sitelicense.cfm?sid=54. In order to download the software from this screen, sign in using your O-Key ID and password. Then you will be prompted to create a new log-in ID/PW with PerkinElmer. After you sign up and download the software, you should receive renewal email reminders.

OriginLab - is a scientific and graphing software. Individuals wishing to download the software should contact the A & S Help desk at X6844 or email cas-help@okstate.edu for assistance.

Material Safety Data Sheets -

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Non-subscription web-based sources

Spectral Data

NIST Chemistry WebBook - High quality data for infrared, UV-visible and mass spectroscopy.

Sigma-Aldrich Chemical Company Chem Product Central - A compound search will often provide links (on the right side of the screen) to various spectra for the compound.

Spectral Database System for Organic Compounds (SDBS) - Spectra of various types (Mass, Proton NMR, C-13 NMR, IR, Raman and ESR) for approximately 32,000 compounds obtained from commercial sources.

Thermodynamic Data

NIST-JANAF Thermochemical Tables - Critically-evaluated; originally published as a supplement to the Journal of Physical and Chemical Reference Data. Jointly published by the American Chemical Society and the American Institute of Physics, the 4th edition (1998) can be downloaded at http://www.nist.gov/data/PDFfiles/jpcrdM9.pdf.

Crystallographic Data

International Tables for Crystallography - Published by the International Union of Crystallography.

Protein Databank - The primary worldwide repository for biological macromolecular structure data, published by the Research Collaboratory for Structural Bioinformatics (RCSB).