NIST Chemistry WebBook

NIST Standard Reference Database SRD Number 69

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Neutral Thermochemical data
compiled by Hussein Y. Afeefy, Joel F. Liebman, Stephen E. Stein, Donald R. Burgess, Jr.
Entropy and Heat Capacity of Organic Compounds
compiled by Glushko Thermocenter, Moscow
Condensed Phase Heat Capacity data
compiled by Eugene S. Domalski, Elizabeth D. Hearing
Ionization Energetics (IE, AE) data
compiled by Sharon G. Lias, Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, John T. Herron, John L. Holmes, Rhoda D. Levin, Joel F. Liebman, Sherif A. Kafafi
Ionization Energy data
evaluated by Sharon G. Lias
Negative Ion Energetics data
compiled by John E. Bartmess
Thermochemistry of Cluster Ion data
compiled by Michael N. Mautner and Sharon G. Lias
Metal Ion Clustering Data
compiled by Robert C. Dunbar
Proton Affinity data
compiled and evaluated by Edward P. Hunter, Sharon G. Lias
Vibrational and Electronic Energy Level data
compiled by Marilyn E. Jacox
Vibrational Frequency data
compiled by Takehiko Shimanouchi
Constants of Diatomic Molecules
compiled by Klaus P. Huber, Gerhard H. Herzberg (data prepared by Jean W. Gallagher, Russell D. Johnson, III)
Organometallic Thermochemical data
compiled by José A. Martinho Simões
Heat of Sublimation data
compiled by James S. Chickos
Heat of Fusion data
compiled by James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri – St. Louis
Boiling Point data
compiled by Robert L. Brown, Stephen E. Stein
Henry's Law Constants
compiled by Rolf Sander
Thermophysical Properties of Fluid Systems
Eric W. Lemmon, Ian H. Bell, Marcia L. Huber, Mark O. McLinden
UV/Visible Spectra
compiled by Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina, Alexander N. Yermakov, Alexy A. Usov, Axlexander A. Leskin
Thermodynamics Source Database
compiled by Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Names, 2-D Structures, Retention Indexes, Mass and IR Spectra data
compiled by NIST Mass Spectrometry Data Center, William E. Wallace director
Quantitative Infrared Database
Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, Walter J. Lafferty
Evaluated Infrared Reference Spectra
Coblentz Society, Inc.
IARPA / PNNL Liquid Phase IR Spectra
Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, Timothy J. Johnson
IARPA / PNNL Solid Phase IR Spectra
Timothy J. Johnson, Tanya L. Myers, Yin-Fong Su, Russell G. Tonkyn, Molly Rose K. Kelly-Gorham, Tyler O. Danby
THz Spectral Database
Edwin J. Heilweil, Matthew B. Campbell
3-D Structures
created by Karl K. Irikura, Thomas C. Allison, Katherine C. Hafner, Stuart C. Ness, Daniel X. Du, Jeffrey W. Qiu, Alexander H. Yang, Helen M. Park, J.K. Skerritt, Mariya S. Shevchuk, Michael Y. Liou, Niranjan B. Ravi, Sonia F. Dermer, Ethan N. Ho, Emily W. Jin, Sejal N. Aggarwal, Sarah N. Pan, Daniel S. Graham, Sarah E. Wollman, Yvonne Niyonzima, Avi M. Newman, Ashley M. Zhang, Ann Marie Martin, Nimit Patel, Abbie Tran, Joseph Tseytlin, Nathan S. Kau, Joel F. Liebman
Miscellaneous data entry and editing
Pamela J. Christian, Diane H. Frizzell, Janiel J. Reed

General Editor Peter J. Linstrom
Editor Emeritus W. Gary Mallard

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Last major update to the site: January, 2023.

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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.

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