# NIST Chemistry WebBook

## NIST Standard Reference DatabaseSRD Number 69

Last update to data:2023DOI: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.

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### Search OptionsJump to top of page

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### Models and ToolsJump 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 basedon a submitted structure.
- Formula Browser : Locates chemicalspecies by building up a chemical formula in Hill order.

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### Special Data CollectionsJump to top of page

- Benchmark Spray Combustion Database :A collection of spray combustion data from experiments conductedat NIST.
- Droplet Laden Flow Data :Results from experiments involving flow over cylinders.

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### DocumentationJump to top of page

- Frequently asked questions
- Version history
- A Guide to the NIST Chemistry WebBook : Aguide to this site and the data available from it.
- Gas-Phase Ion Thermochemistry : Anin-depth explanation of gas phase ion data availablefrom this site.
- NIST Organic Thermochemistry Archive :A description of the primary source of thermochemical datafor this site.
- Organometallic Thermochemistry Database :A description of the organometallic thermochemistry databaseincluded in this site.
- Vibrational and Electronic EnergyLevels of Polyatomic Transient Molecules :A description of vibrational and electronic energy level data formolecules with three or more atoms.
- Computed 3-D Structures : A descriptionof the manner in which the 3 dimensional structures on this sitewere generated.
- Evaluated Infrared Spectra : A descriptionof one of the collections of IR spectra available on this site.
- IARPA / PNNL Liquid Phase IRSpectra : A description of liquid phase quantitative infrared spectrameasured at PNNL.
- IARPA / PNNL Solid Phase IRSpectra : A description of solid phase quantitative infrared spectrameasured at PNNL.
- Quantitative Infrared Database : A descriptionof the NIST Quantitative Infrared Database.
- THz Spectral Database : A description of THz infraredspectra measured by NIST.
- UV/Vis Database User's Guide : A description of theUV/Vis spectra available from this site.
- Gas Chromatographic Retention Data : Adescription of the retention index data available from this site.
- Citation Guide : A Guide to theproper citation of data from this site.

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### Recent changes to this siteJump 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.

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### NotesJump to top of page

This site provides thermochemical, thermophysical, and ion energeticsdata compiled by NIST under the Standard Reference Data Program.

The National Institute of Standards and Technology (NIST) uses its bestefforts to deliver a high quality copy of the Database and to verifythat the data contained therein have been selected on the basis of soundscientific judgment. However, NIST makes no warranties to that effect,and NIST shall not be liable for any damage that may result from errorsor omissions in the Database.

NIST is an agency of theU.S. Department of Commerce.

The NIST Chemistry WebBook was developed in part with funds from theSystems Integration for Manufacturing Applications (SIMA) program at NIST.

Customer supportfor NIST Standard Reference Data products.