NIST Chemistry WebBook
NIST Standard Reference Database Number 69
View: Search Options,
Models and Tools,
Special Data Collections,
Documentation,
Changes,
Notes
Credits
- 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,
A.A. Leskin
- Thermodynamics Source Database
- compiled by Thermodynamics Research Center, NIST Boulder Laboratories, M. Frenkel 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,
W.J. Lafferty
- 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
- Miscellaneous data entry and editing
- P.J. Christian, D.H. Frizzell, J.J. Reed
General Editor P.J. Linstrom
Editor Emeritus W.G. Mallard
NIST reserves the right to charge for access to this database in the future.
Search Options
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General Searches |
Physical Property Based Searches |
- Formula
- Name
- IUPAC identifier
- CAS registry number
- Reaction
- Author
- Structure
|
- Ion energetics properties
- Vibrational and electronic energies
- Molecular weight
|
Models and Tools
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- Thermophysical Properties of Fluid Systems:
High accuracy data for a select group of fluids.
- Group Additivity Based Estimates:
Estimates of gas phase thermodynamic properties based
on a submitted structure.
- Formula Browser: Locates chemical
species by building up a chemical formula in Hill order.
Special Data Collections
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- Benchmark Spray Combustion Database:
A collection of spray combustion data from experiments conducted
at NIST.
- Droplet Laden Flow Data:
Results from experiments involving flow over cylinders.
Documentation
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- Frequently asked questions
- Version history
- A Guide to the NIST Chemistry WebBook: A
guide to this site and the data available from it.
- Gas-Phase Ion Thermochemistry: An
in-depth explanation of gas phase ion data available
from this site.
- NIST Organic Thermochemistry Archive:
A description of the primary source of thermochemical data
for this site.
- Organometallic Thermochemistry Database:
A description of the organometallic thermochemistry database
included in this site.
- Vibrational and Electronic Energy
Levels of Polyatomic Transient Molecules:
A description of vibrational and electronic energy level data for
molecules with three or more atoms.
- Computed 3-D Structures: A description
of the manner in which the 3 dimensional structures on this site
were generated.
- Evaluated Infrared Spectra: A description
of one of the collections of IR spectra available on this site.
- Quantitative Infrared Database: A description
of the NIST Quantitative Infrared Database.
- THz Spectral Database: A description of THz infrared
spectra measured by NIST.
- UV/Vis Database User's Guide: A description of the
UV/Vis spectra available from this site.
- Gas Chromatographic Retention Data: A
description of the retention index data available from this site.
- Citation Guide: A Guide to the
proper citation of data from this site.
- Species List: A list of all of the
chemical species in this release of the NIST Chemistry WebBook.
Recent changes to this site
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Last changes to the site: September 27, 2012.
Recent changes:
- Added additional three dimensional structures.
- Added a Java based viewer for three dimensional structures.
- Added droplet laden flow data.
- Updated thermochemical data for gas phase ions and ion clusters.
Notes
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This site provides thermochemical, thermophysical, and ion energetics
data compiled by NIST under the Standard Reference Data Program.
The National Institute of Standards and Technology (NIST) uses its best
efforts to deliver a high quality copy of the Database and to verify
that the data contained therein have been selected on the basis of sound
scientific judgment. However, NIST makes no warranties to that effect,
and NIST shall not be liable for any damage that may result from errors
or omissions in the Database.
The NIST Chemistry WebBook was developed in part with funds from the
Systems Integration for Manufacturing Applications (SIMA) program at NIST.
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© 2011 by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
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the
Standard Reference Data Act.
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is neither affiliated with the authors of this page nor responsible
for its contents. This is a safe-cache copy of the original web site.