CHE 200 INFORMATION RESOURCES
LIBRARY PRESENTATION
November 5, 2014 INTRODUCTION & AGENDA DAVE ZWICKY CHEMICAL INFORMATION SPECIALIST
• Chemistry & Chemical Engineering Librarian • Background – BS (CHE), Wisconsin – MS (CHE), Illinois – MA (LIS), Wisconsin • Contact information – [email protected] – 49-67279 – 310 Wetherill
3 TODAY’S CLASS OVERVIEW
• Research Guide • Chemical Engineering Information Resources – Finding background info and property data – Encyclopedias – Handbooks – Databases – Safety
4 CHE RESEARCH GUIDE LIBRARY GUIDE
• http://guides.lib.purdue.edu/che • Links to everything we will discuss in class • Proxy access to proprietary websites (authenticate with your Purdue credentials) • Chemical safety information
5 FINDING BACKGROUND INFORMATION ENCYCLOPEDIAS ONLINE
• Specialized encyclopedias for terms and concepts you are unfamiliar with or want a refresher – Kirk-Othmer Encyclopedia of Chemical Technology – Ullmann's Encyclopedia of Industrial Chemistry • Good for finding flow charts and process diagrams for chemicals and commodities • Online, searchable
7 ENCYCLOPEDIAS KIRK-OTHMER ENCYCLOPEDIA OF CHEMICAL TECHNOLOGY
8 ENCYCLOPEDIAS KIRK-OTHMER ENCYCLOPEDIA OF CHEMICAL TECHNOLOGY
9 ENCYCLOPEDIAS KIRK-OTHMER ENCYCLOPEDIA OF CHEMICAL TECHNOLOGY
10 HANDBOOKS CRCNETBASE
• Published by CRC Press – Albright's Chemical Engineering Handbook – Encyclopedia of Chemical Processing – Encyclopedic Dictionary of Named Processes in Chemical Technology – Dekker Encyclopedia of Nanoscience and Nanotechnology • http://purl.lib.purdue.edu/db/chemlibnet
11 HANDBOOKS ALBRIGHT’S CHEMICAL ENGINEERING HANDBOOK
12 HANDBOOKS ENCYCLOPEDIA OF CHEMICAL PROCESSING
13 HANDBOOKS ENCYCLOPEDIC DICTIONARY OF NAMED PROCESSES IN CHEMICAL TECHNOLOGY
14 HANDBOOKS DEKKER ENCYCLOPEDIA OF NANOSCIENCE & NANOTECHNOLOGY
15 HANDBOOKS PERRY’S CHEMICAL ENGINEERS’ HANDBOOK
• The most important single reference book for chemical engineers • Print (Chemistry and Engineering libraries) • Online (two versions)
16 FINDING DATA SOURCES DATA HOW DO YOU DESCRIBE A COMPOUND?
Description Example • Chemical name • Ethanol • Common name • Alcohol, ethyl alcohol
• Molecular formula • C2H6O
• Empirical formula • H3C—CH2—OH • Structure • OH • CAS Registry Number • CAS# 64-17-5 • SMILES Code • CCO
18 DATA SEARCHING…
• Drawing:
• Name: 1,2-dichloro-1,2-dineopentyloxyethane • Registry: 83466-18-6
19 DATA REGISTRY NUMBERS
• CAS Registry Numbers – Provided by Chemical Abstracts Service (SciFinder) – Unique identifier for each chemical in literature – Ten digits, no chemical significance • SMILES – Simplified Molecular-Input Line-Entry System • INCHI – IUPAC International Chemical Identifier
20 DATA TYPES OF DATA
• Accepted/Standard • Experimental • Predicted/Computed
21 DATA DATA SOURCES
• Handbooks – CRC Handbook Online – Perry’s – Knovel • Databases – NIST – ChemSpider
22 DATA CRC HANDBOOK OF CHEMISTRY & PHYSICS
23 DATA CRC HANDBOOK OF CHEMISTRY & PHYSICS
• Ethanol (64-17-5)
24 DATA KNOVEL SCIENTIFIC & ENGINEERING HANDBOOKS
• http://purl.lib.purdue.edu/db/knovel • Hundreds of digitized handbooks and engineering reference works (PDF) • Some titles have data tools built into their figures and tables – Sortable/filterable tables, graph plotters, equation solvers, on-the-fly unit conversion – Interactive material/chemical property searching
25 DATA KNOVEL SCIENTIFIC & ENGINEERING HANDBOOKS
26 DATA KNOVEL SCIENTIFIC & ENGINEERING HANDBOOKS
27 DATA KNOVEL SCIENTIFIC & ENGINEERING HANDBOOKS
28 DATA KNOVEL SCIENTIFIC & ENGINEERING HANDBOOKS
• Search: formaldehyde (50-00-0) and density
29 DATA KNOVEL SCIENTIFIC & ENGINEERING HANDBOOKS
30 DATA NATIONAL INSTITUTES OF STANDARDS & TECHNOLOGY
• NIST Chemistry WebBook – webbook.nist.gov • NIST Kinetics Database – kinetics.nist.gov • Basic interface, but excellent source for property data, kinetic data, and spectra
31 DATA CHEMSPIDER
• chemspider.com • Owned by the Royal Society of Chemistry • Free chemical structure and property data • Users submit, comment on, and edit data • Curators approve and validate added content
32 DATA MSDS
• Material Safety Data Sheets (MSDS) • Lab safety tool • Contains: – Names & identifiers – Physical properties – Hazards – Toxicity – Safety and handling
33 EXAMPLE: BOILING POINT OF PYRIDINE EXAMPLE PYRIDINE
35 PROBLEM: UNKNOWN SUBSTANCE PROBLEM UNKNOWN SUBSTANCE
You have found that your organic unknown has
the molecular formula C12H16O. You would like a list of the possible substances with that formula, preferably with some physical properties, so you can figure out what it is.
Where should you look?
37 PROBLEM UNKNOWN SUBSTANCE
• How do these options compare? – Wikipedia – Wolfram Alpha – ChemSpider – CRC Handbook – Knovel – NIST
38 PROBLEM WIKIPEDIA
39 PROBLEM WOLFRAM ALPHA
40 PROBLEM CHEMSPIDER
41 PROBLEM CRC HANDBOOK OF CHEMISTRY & PHYSICS
42 PROBLEM KNOVEL
43 PROBLEM NIST
44 WRAPPING UP WRAPPING UP SUMMARY
• Finding background information with encyclopedias and handbooks – Kirk-Othmer, CRCnetBASE, Perry’s Handbook • Finding data with handbooks and databases – Knovel, CRC, ChemSpider, NIST, MSDS • Choosing the right source • LibGuide: guides.lib.purdue.edu/che • Chemical Information Specialist
46 DAVE ZWICKY CHEMICAL INFORMATION SPECIALIST
• I can help with: – Using library resources – Finding information – ChemBioDraw – Data management – Citation management – Patents • Contact information – [email protected] – 49-67279 – 310 Wetherill
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