Transcript How to Update Older Presentations to This New Template

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.h
tm
 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
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
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/SIR
Ch:_Selected_Internet_Resources_for_Chemistry
Chemistry Library Guides – University of Buffalo SUNY
http://libwebl.lib.buffalo.edu/infotree/resourcesbysubject.asp?subject=Che
mistry#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 )

Google Web Directory: Periodic Table
http://www.chemistry.org/portal/a/c/s/1/acsdisplay.html?DOC=sitetools%5cperiodic_table.html#
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