FINDING PHYSICAL AND CHEMICAL PROPERTIES ON THE INTERNET Margarete Bower Chemistry Library.
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Transcript of 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
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/
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