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FINDING PHYSICAL AND CHEMICAL PROPERTIES ON THE INTERNET

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FINDING PHYSICAL AND CHEMICAL PROPERTIES ON THE INTERNET

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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