FINDING PHYSICAL AND CHEMICAL PROPERTIES ON THE INTERNET

Margarete Bower

Chemistry Library

PERIODIC TABLES

WebElements

http://www.webelements.com/

Periodic Table of Data

http://www.chemsoc.org/networks/learnnet/ptdata/table/index.htm

The Biochemical Periodic Table

http://umbbd.msi/umn.edu/periodic/periodic.html

EnvironmentalChemistry.com’s Periodic Table of the Elements

http://environmentalchemistry.com/yogi/periodic/

MATERIAL SAFETY DATA SHEETS (MSDS)

Chemical company’s web page, for example:

Aldrich Chemical Company http://www.sigmaaldrich.com

MSDS Search http://www.msdssearch.com(Needs Front Page Server Extensions software and web server

capability.)

MSDS Xchange http://www.msdsxchange.com

MSDS contains basic property and safety information. Many sites require free registration now to view the documents.

SPECTRA

NMRShiftDB

http://nmrshiftdb.ice.mpg.de/

Depository for organic structures and NMR spectra

Search by compound

Search by NMR peaks

Spectral Database for Organic Compounds (SDBS)

http://www.aist.go.jp/RIODB/SDBS/cgi-bin/cre_index.cgi

National Institute of Advanced Industrial Science and Technology (AIST), Japan

Search by compound name, molecular formula, molecular weight, CAS registry number

Search by spectral data

NMR (proton and carbon-13), IR, Raman, MS, ESR

LipidBank http://lipidbank.jp/ Japanese Conference on the Biochemistry of Lipids Physical properties; UV,IR, NMR, MS data or spectra

BMRB: Biological Magnetic Resonance Bank http://www.bmrb.wisc.edu/ University of Wisconsin – Madison, Dept. of Biochemistry NMR data for proteins, peptides, and nucleic acids

Sigma-Aldrich Online Catalog

http://www.sigmaaldrich.com

Spectra for many compounds are linked under “Related Information”

Organic Syntheses

http://www.orgsyn.org

NMR spectra for products starting with volume 81

CHEMFINDERhttp://chemfinder.cambridgesoft.com/

Free searching, but extended use may require registration. Links to many other data sources. Some require subscriptions.

Information available may include:

Chemical structure and chemical name synonyms

CAS registry numbers

mp, bp, density, refractive index, vapor pressure, water solubility, flash point, evaporation rate, links to spectra

NIST – National Institute for Science and Technology (U.S.)

http://www.nist.gov

Look under “Databases”

NIST Chemistry WebBook

Property, thermodynamic, and spectra information

Organics and inorganics

Considered highly reliable data

MatWeb http://www.matweb.com Over 62,000 materials

Polymers and plastics, metals, superalloys, ceramics, composites, lubricants.

Search by material type or name, property value, metal composition. Compare properties of three materials.

Data from commercial suppliers and handbook data.

Free registration provides extra features. Access to all features requires subscription.

Chinese language interface

CHEMEXPER http://chemexper.com/

Information may include:

Chemical name synonyms and structure

Physical properties

May link to spectra and MSDS

Chemical Calculator and Property Explorer calculate properties based on molecular formula or structure

KNOVEL

http://www.knovel.com/knovel2/library/default.jsp

Knovel Critical Tables may be searched and viewed without a subscription.

Browse titles; sort by Title Name; choose Knovel Critical Tables

Entire database of digital handbooks may be searched to find references for sources of data. Contents can not be viewed without a subscription.

SciFinder Scholar Many compound records now contain calculated and

experimental property information.

May have links to spectra

Beilstein and Gmelin Property data is included in compound records

References to sources of spectra and spectral data. Some data is included in compound records.

SPECIALIZED TOPICS

Thermodex (University of Texas at Austin)

http://www.lib.utexas.edu/thermodex/

Index to sources of thermodynamic data.

Solv-DB (National Center for Manufacturing Sciences)

http://solvdb.ncms.org/

Information on solvents

Vapor Pressure Data (from Computer Aided Data Book of Vapor Pressure)

http://s-ohe.com/vp_data.html

Electron Binding Energies (compiled by Gwyn Williams)

http://xray.uu.se/hypertext/EBindEnergies.html

TOXNET – Toxicology Data Network (U.S. National Library of Medicine)

http://toxnet.nlm.nih.gov

NIOSH Pocket Guide to Chemical Hazards

http://www.cdc.gov/niosh/npg/npgd0619.html

DIRECTORIES

CHEMINFO Chemical Information Sources – Indiana University

http://www.indiana.edu/~cheminfo/

Highly regarded compilation of websites for resource guides, databases, instructional materials, and networking.

Selected Internet Resources for Chemistry (SIRCh)

http://cheminfo.informatics.indiana.edu/cicc/cis/index.php/SIRCh:_Selected_Internet_Resources_for_Chemistry

Chemistry Library Guides – University of Buffalo SUNY

http://libwebl.lib.buffalo.edu/infotree/resourcesbysubject.asp?subject=Chemistry#4

Links to lists of print and online resources for finding property information and spectra.

See also a paper by Ben Wagner, the Chemistry Librarian:

http://www.ublib.buffalo.edu/libraries/asl/staff /documents/wagner_phys_propstl_art.pdf

Chemical Information Page – Arizona State University

http://www.asu.edu/lib/noble/chem/

Property Data Index at

http://www.asu.edu/lib/noble/chem/property.htm

Spectroscopy Resources at

http://www.asu.edu/lib/noble/pam/spectra.htm

10 Easy Tips for Finding Property Data

http://www.asu.edu/lib/noble/chem/prophelp.htm

Physical and Chemical Properties – University of Florida

http://uflib.ufl.edu/msl/subjects/cd/property.html

Library catalog records are also encoded to indicate the types of property information available in the book.

SEARCH THE INTERNET

Google Scholar

http://scholar.google.com

Google Directories

http://directory.google.com

Scirus

http://www.scirus.com

TIPS ON SEARCHING FOR COMPOUNDS Chemical names

Use synonyms Inverted or regular nomenclature?

Benzene, 1,4-dinitro- or 1,4-dinitrobenzene

Use CAS registry numbers if available

Check proper format for chemical formula C7H7NO2 instead of CH3C6H4NO2

C6Cl3FeN6 instead of Fe(CN)6Cl3

MatWeb

MatWeb

Periodic Tables Web Elements

http://www.webelements.com/

Periodic Table of the Elements (EnvironmentalChemistry.com) http://environmentalchemistry.com/yogi/periodic/

Periodic Table of X-Ray Properties http://www.csrri.iit.edu/periodic-table.html

Periodic Table of Data (Royal Society of Chemistry)

http://www.chemsoc.org/networks/learnnet/ptdata/welcome.htm

Periodic Table (American Chemical Society ) http://www.chemistry.org/portal/a/c/s/1/acsdisplay.html?DOC=sitetools%5cperiodic_table.html#

Google Web Directory: Periodic Table

http://directory.google.com/Top/Science/Chemistry/Periodic_Table/

WebElements

Periodic Table of X-Ray Properties

Royal Society of Chemistry

Royal Society of Chemistry

Alexej Jerschow’s Interactive NMR Frequency Map (New York U.) http://www.nyu.edu/cgi-bin/cgiwrap/aj39/NMRmap.cgi

NMR - Properties eNMR - NMR Periodic Table (Bruker ) http://

www.bruker.de/guide/eNMR/chem/NMRnuclei.html

NMR – Properties

Numare Spectralab Inc. http://www.eclipse.net/~numare/

NMR periodic table, deuterated solvents, residual solvent resonances 1H and 13C