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Finding Physical and Chemical Properties Online

Explore resources for finding physical and chemical properties, including periodic tables, MSDS, spectral databases, and more. Access reliable data sources for compounds, materials, and thermodynamic information.

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Finding Physical and Chemical Properties Online

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  1. FINDING PHYSICAL AND CHEMICAL PROPERTIES ON THE INTERNET Margarete Bower Chemistry Library

  2. 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/

  3. 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.

  4. SPECTRA NMRShiftDB • http://nmrshiftdb.ice.mpg.de/ • Depository for organic structures and NMR spectra • Search by compound • Search by NMR peaks

  5. 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

  6. 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

  7. 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

  8. CHEMFINDER http://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

  9. 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

  10. 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

  11. 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

  12. 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.

  13. 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.

  14. 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

  15. 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

  16. 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

  17. 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

  18. 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

  19. 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

  20. 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.

  21. SEARCH THE INTERNET Google Scholar http://scholar.google.com Google Directories http://directory.google.com Scirus http://www.scirus.com

  22. 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

  23. MatWeb

  24. MatWeb

  25. 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/

  26. WebElements

  27. Periodic Table of X-Ray Properties

  28. Royal Society of Chemistry

  29. Royal Society of Chemistry

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

  31. NMR - Properties • eNMR - NMR Periodic Table (Bruker ) http://www.bruker.de/guide/eNMR/chem/NMRnuclei.html

  32. NMR – Properties Numare Spectralab Inc. http://www.eclipse.net/~numare/ NMR periodic table, deuterated solvents, residual solvent resonances 1H and 13C

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