Data on Organic Compounds
- Handbook of Organic Chemistry.Call Number: QD251.2.D430Includes descriptive properties for 4000 organic compounds. Entries on organic compounds include name, structural formula, formula weight, Beilstein reference, and properties. Includes sections on physical properties, thermodynamic properties and properties of atoms, radicals, and bonds.
- Atlas of Spectral Data and Physical Constants for Organic CompoundsCall Number: QD257.7.G76 1975In addition to spectral data, includes physical data for about 21,000 organic compounds. Name/synonym index and structural formula section are keyed to the compound table.
- Handbook of Vapor PressureCall Number: QD257.7.Y390Tables and graphs for vapor pressure of organic compounds C1 to C23 and inorganic compounds and elements
- Physico-chemical Constants of Pure Organic Compounds.Call Number: QD291.T58Collection of physical data organized by compound. Data includes vapor pressure, viscosity, density, specific heat, etc.
- Melting Point Tables of Organic CompoundsCall Number: QD518.U88Provides data for over 7000 compounds, arranged by increasing melting point temperatures. While not used much today for research purposes, this work is still valuable as a teaching tool.
Online Spectra Resources
Web-Based Spectra Resources available to University of Chicago users
Spectral Information in Chemistry Databases (restricted to UChicago)
- SciFinder- References and/or spectra of NMR, IR, Raman, MS, UV/VIS in the "Experimental Properties" of the CAS Registry record for substances (requires individual user registration)
- Reaxys - References to literature reports of NMR, IR, MS, Raman, UV/VIS and other spectral data included in the compound record (also referred to as "Beilstein")
Other "Free" Spectral Data Collections
- NIST Chemistry WebBook
- Sigma-Aldrich "Catalog"
click on catalog number to see the full record; spectra links in "Safety & Documentation" tab; NMR, IR, Raman and MS may be available - EPA Emission Measurement Center Spectral Database (requires a viewer for .spc files like ShowSPC)
Includes FTIR absorbance spectra, mainly for substances of environmental significance (e.g., common pollutants) - NMRShiftDB
- Contains about 25,000 13C, 1H and other nuclei NMR open source spectra of organic compounds
- Mineral Spectroscopy Server (Caltech)
Includes optical, IR, and Raman spectra of rocks and minerals (inorganic) - Biological Magnetic Resonance Data Bank - (131 datasets) maintained by the University of Wisconsin (Madison) Biochemistry Department. It archives both raw and processed data for proteins, nucleic acids, and other biomacromolecules.
About Spectra
Subject Specialist
Andrea Twiss-Brooks
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Chemistry and
Geophysical Sciences
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Chemistry and
Geophysical Sciences
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