经典物化性质查询网点:Nist

经典物化性质查询网点:Nist


NIST Chemistry WebBook
NIST Standard Reference Database Number 69, June 2005 Release
View: Search Options, Models and Tools, Documentation, Notes

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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
Miscellaneous data entry and editing
P.J. Christian, D.H. Frizzell, J.J. Reed
WebBook system developed by P.J. Linstrom
General Editor W.G. Mallard

NIST reserves the right to charge for access to this database in the future.


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Search Options top
General Searches Physical Property Based Searches
Formula
Name
CAS registry number
Reaction
Author
Structure
Ion energetics properties
Vibrational and electronic energies
Molecular weight


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Models and Tools top
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.

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Documentation top
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.

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Notes top
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.

NIST statement on privacy, security, and accessibility.


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