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NIST Chemistry WebBook, SRD 69

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NIST Chemistry WebBook

NIST Standard Reference Database SRD Number 69

Last update to data: 2023 DOI: https://doi.org/10.18434/T4D303 View: Search Options, Models and Tools, Special Data Collections, Documentation, Changes, Notes

Credits

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

Search Options Jump to top of page

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 Jump to top of page

●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 Jump to top of page

●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 Jump to top of page

●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. ●IARPA / PNNL Liquid Phase IR Spectra: A description of liquid phase quantitative infrared spectra measured at PNNL. ●IARPA / PNNL Solid Phase IR Spectra: A description of solid phase quantitative infrared spectra measured at PNNL. ●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.

Recent changes to this site Jump to top of page

Last major update to the site: January, 2023. Recent changes: ●Changed colors for plots to be more accessible. ●Updated chemical structures. ●Updated anion thermochemistry data.

Notes Jump to top of page

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. NIST is an agency of the U.S. Department of Commerce. The NIST Chemistry WebBook was developed in part with funds from the Systems Integration for Manufacturing Applications (SIMA) program at NIST. Customer support for NIST Standard Reference Data products. © 2023 by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. Copyright for NIST Standard Reference Data is governed by the Standard Reference Data Act.

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