NIST Chemistry WebBook
NIST Standard Reference Database Number 69
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Models and Tools,
Special Data Collections,
- Neutral Thermochemical data
- compiled by H.Y. Afeefy, J.F. Liebman, S.E. Stein
- Entropy and Heat Capacity of Organic Compounds
- compiled by Glushko Thermocenter, Moscow
- Condensed Phase Heat Capacity data
- compiled by E.S. Domalski, E.D. Hearing
- Ionization Energetics (IE, AE) data
- compiled by S.G. Lias, H.M. Rosenstock, K. Draxl, B.W. Steiner, J.T. Herron, J.L. Holmes, R.D. Levin, J.F. Liebman, S.A. Kafafi
- Ionization Energy data
- evaluated by S.G. Lias
- Negative Ion Energetics data
- compiled by J.E. Bartmess
- Thermochemistry of Cluster Ion data
- compiled by M. Meot-Ner (Mautner) and S.G. Lias
- Proton Affinity data
- compiled and evaluated by E.P. Hunter, S.G. Lias
- Vibrational and Electronic Energy Level data
- compiled by M.E. Jacox
- Vibrational Frequency data
- compiled by T. Shimanouchi
- Constants of Diatomic Molecules
- compiled by K.P. Huber, G. Herzberg
- Organometallic Thermochemical data
- compiled by J. A. Martinho Simões
- Heat of Sublimation data
- compiled by J.S. Chickos
- Heat of Fusion data
- compiled by J.S. Chickos, W.E. Acree, Jr., J.F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri – St. Louis
- Boiling Point data
- compiled by R.L. Brown, S.E. Stein
- Henry's Law Constants
- compiled by R. Sander
- Thermophysical Properties of Fluid Systems
- by E.W. Lemmon, M.O. McLinden, D.G. Friend
- UV/Visible Spectra
- compiled by V. Talrose, E.B. Stern,
A.A. Goncharova, N.A. Messineva, N.V. Trusova,
M.V. Efimkina, A.N. Yermakov, A.A. Usov,
- Thermodynamics Source Database
- compiled by Thermodynamics Research Center, NIST Boulder Laboratories, K. Kroenlein director
- Names, 2-D Structures, Retention Indexes, Mass and IR Spectra data
- compiled by NIST Mass Spectrometry Data Center, S.E. Stein director
- Quantitative Infrared Database
- P.M. Chu, F.R. Guenther, G.C. Rhoderick,
- THz Spectral Database
- E.J. Heilweil, M. Campbell
- 3-D Structures
- created by K.K. Irikura, T.C. Allison,
K.C. Hafner, S.C. Ness, D.X. Du,
J.W. Qiu, A.H. Yang, H.M. Park,
J.K. Skerritt, M.S. Shevchuk,
M.Y. Liou, N.B. Ravi, S.F. Dermer,
E.N. Ho, E.W. Jin, S.N. Aggarwal,
S.N. Pan, D.S. Graham, S.E. Wollman,
Y. Niyonzima, A.M. Newman, A.M. Zhang
- Miscellaneous data entry and editing
- P.J. Christian, D.H. Frizzell, J.J. Reed
General Editor P.J. Linstrom
Editor Emeritus W.G. Mallard
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Models and Tools
Special Data Collections
Recent changes to this site
Last major update to the site: February 9, 2015.
- Structure images are now in color with (hopefully) nicer looking lines
- Updated anion thermochemistry data.
- Updated mass spectra.
- Updated retention index (gas chromatography) data.
- Updated phase change thermochemistry data.
This site provides thermochemical, thermophysical, and ion energetics
data compiled by NIST under the Standard Reference Data Program.
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