NIST Chemistry WebBook

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Afeefy</em>, <em>Joel F. Liebman</em>, <em>Stephen E. Stein</em>, <em>Donald R. Burgess, Jr.</em></dd> <dt>Entropy and Heat Capacity of Organic Compounds</dt> <dd>compiled by Glushko Thermocenter, Moscow</dd> <dt>Condensed Phase Heat Capacity data</dt> <dd>compiled by <em>Eugene S. Domalski</em>, <em>Elizabeth D. Hearing</em></dd> <dt>Ionization Energetics (IE, AE) data</dt> <dd>compiled by <em>Sharon G. Lias</em>, <em>Henry M. Rosenstock</em>, <em>Keith Draxl</em>, <em>Bruce W. Steiner</em>, <em>John T. Herron</em>, <em>John L. Holmes</em>, <em>Rhoda D. Levin</em>, <em>Joel F. Liebman</em>, <em>Sherif A. Kafafi</em></dd> <dt>Ionization Energy data</dt> <dd>evaluated by <em>Sharon G. Lias</em></dd> <dt>Negative Ion Energetics data</dt> <dd>compiled by <em>John E. Bartmess</em></dd> <dt>Thermochemistry of Cluster Ion data</dt> <dd>compiled by <em>Michael N. Mautner</em> and <em>Sharon G. Lias</em></dd> <dt>Metal Ion Clustering Data</dt> <dd>compiled by <em>Robert C. Dunbar</em></dd> <dt>Proton Affinity data</dt> <dd>compiled and evaluated by <em>Edward P. Hunter</em>, <em>Sharon G. Lias</em></dd> <dt>Vibrational and Electronic Energy Level data</dt> <dd>compiled by <em>Marilyn E. Jacox</em></dd> <dt>Vibrational Frequency data</dt> <dd>compiled by <em>Takehiko Shimanouchi</em></dd> <dt>Constants of Diatomic Molecules</dt> <dd>compiled by <em>Klaus P. Huber</em>, <em>Gerhard H. Herzberg</em> (data prepared by <em>Jean W. Gallagher</em>, <em>Russell D. Johnson, III</em>)</dd> <dt>Organometallic Thermochemical data</dt> <dd>compiled by <em>José A. Martinho Simões</em></dd> <dt>Heat of Sublimation data</dt> <dd>compiled by <em>James S. Chickos</em></dd> <dt>Heat of Fusion data</dt> <dd>compiled by <em>James S. Chickos</em>, <em>William E. Acree, Jr.</em>, <em>Joel F. Liebman</em>, <em>Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri – St. Louis</em></dd> <dt>Boiling Point data</dt> <dd>compiled by <em>Robert L. Brown</em>, <em>Stephen E. Stein</em></dd> <dt>Henry's Law Constants</dt> <dd>compiled by <em>Rolf Sander</em></dd> <dt>Thermophysical Properties of Fluid Systems</dt> <dd><em>Eric W. Lemmon</em>, <em>Ian H. Bell</em>, <em>Marcia L. Huber</em>, <em>Mark O. McLinden</em></dd> <dt>UV/Visible Spectra</dt> <dd>compiled by <em>Victor Talrose</em>, <em>Eugeny B. Stern</em>, <em>Antonina A. Goncharova</em>, <em>Natalia A. Messineva</em>, <em>Natalia V. Trusova</em>, <em>Margarita V. Efimkina</em>, <em>Alexander N. Yermakov</em>, <em>Alexy A. Usov</em>, <em>Axlexander A. Leskin</em></dd> <dt>Thermodynamics Source Database</dt> <dd>compiled by Thermodynamics Research Center, NIST Boulder Laboratories, <em>Chris Muzny</em> director</dd> <dt>Names, 2-D Structures, Retention Indexes, Mass and IR Spectra data</dt> <dd>compiled by NIST Mass Spectrometry Data Center, <em>William E. Wallace</em> director</dd> <dt>Quantitative Infrared Database</dt> <dd><em>Pamela M. Chu</em>, <em>Franklin R. Guenther</em>, <em>George C. Rhoderick</em>, <em>Walter J. Lafferty</em></dd> <dt>Evaluated Infrared Reference Spectra</dt> <dd><em>Coblentz Society, Inc.</em></dd> <dt>IARPA / PNNL Liquid Phase IR Spectra</dt> <dd><em>Tanya L. Myers</em>, <em>Russell G. Tonkyn</em>, <em>Ashley M. Oeck</em>, <em>Tyler O. Danby</em>, <em>John S. Loring</em>, <em>Matthew S. Taubman</em>, <em>Stephen W. Sharpe</em>, <em>Jerome C. Birnbaum</em>, <em>Timothy J. Johnson</em></dd> <dt>IARPA / PNNL Solid Phase IR Spectra</dt> <dd><em>Timothy J. Johnson</em>, <em>Tanya L. Myers</em>, <em>Yin-Fong Su</em>, <em>Russell G. Tonkyn</em>, <em>Molly Rose K. Kelly-Gorham</em>, <em>Tyler O. Danby</em></dd> <dt>THz Spectral Database</dt> <dd><em>Edwin J. Heilweil</em>, <em>Matthew B. Campbell</em></dd> <dt>3-D Structures</dt> <dd>created by <em>Karl K. Irikura</em>, <em>Thomas C. Allison</em>, <em>Katherine C. Hafner</em>, <em>Stuart C. Ness</em>, <em>Daniel X. Du</em>, <em>Jeffrey W. Qiu</em>, <em>Alexander H. Yang</em>, <em>Helen M. Park</em>, <em>J.K. Skerritt</em>, <em>Mariya S. Shevchuk</em>, <em>Michael Y. Liou</em>, <em>Niranjan B. Ravi</em>, <em>Sonia F. Dermer</em>, <em>Ethan N. Ho</em>, <em>Emily W. Jin</em>, <em>Sejal N. Aggarwal</em>, <em>Sarah N. Pan</em>, <em>Daniel S. Graham</em>, <em>Sarah E. Wollman</em>, <em>Yvonne Niyonzima</em>, <em>Avi M. Newman</em>, <em>Ashley M. Zhang</em>, <em>Ann Marie Martin</em>, <em>Nimit Patel</em>, <em>Abbie Tran</em>, <em>Joseph Tseytlin</em>, <em>Nathan S. Kau</em>, <em>Joel F. Liebman</em></dd> <dt>Miscellaneous data entry and editing</dt> <dd><em>Pamela J. Christian</em>, <em>Diane H. Frizzell</em>, <em>Janiel J. Reed</em></dd> </dl> <p> General Editor <em>Peter J. Linstrom</em><br /> Editor Emeritus <em>W. Gary Mallard</em> </p> </div> <p> NIST reserves the right to charge for access to this database in the future. </p> <hr /> <h3 id="Search">Search Options <a href="#Top" title="Jump to top of page"> <span class="sr-only">Jump to top of page</span> <svg xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink" class="webbook_icon_text" role="img" aria-hidden="true"> <use xlink:href=".//img/icons.svg#up-circle-icon"></use> </svg></a> </h3> <table class="search_options" aria-label="List of searches available"> <thead> <tr> <th scope="col">General Searches</th> <th scope="col">Physical Property Based Searches</th> </tr> </thead> <tbody> <tr> <td> <ul class="spaced"> <li><a href="form-ser/">Formula</a></li> <li><a href="name-ser/">Name</a></li> <li><a href="inchi-ser/">IUPAC identifier</a></li> <li><a href="cas-ser/">CAS registry number</a></li> <li><a href="reac-ser/">Reaction</a></li> <li><a href="author/">Author</a></li> <li><a href="str-ser/">Structure</a></li> </ul> </td> <td> <ul class="spaced"> <li><a href="ion-ser/">Ion energetics properties</a></li> <li><a href="es-ser/">Vibrational and electronic energies</a></li> <li><a href="mw-ser/">Molecular weight</a></li> </ul> </td> </tr> </tbody> </table> <hr /> <h3 id="Models">Models and Tools <a href="#Top" title="Jump to top of page"> <span class="sr-only">Jump to top of page</span> <svg xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink" class="webbook_icon_text" role="img" aria-hidden="true"> <use xlink:href=".//img/icons.svg#up-circle-icon"></use> </svg></a> </h3> <ul class="spaced"> <li><a href="fluid/">Thermophysical Properties of Fluid Systems</a>: High accuracy data for a select group of fluids.</li> <li><a href="grp-add/">Group Additivity Based Estimates</a>: Estimates of gas phase thermodynamic properties based on a submitted structure.</li> <li><a href="../cgi/formula/">Formula Browser</a>: Locates chemical species by building up a chemical formula in Hill order.</li> </ul> <hr /> <h3 id="SpData">Special Data Collections <a href="#Top" title="Jump to top of page"> <span class="sr-only">Jump to top of page</span> <svg xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink" class="webbook_icon_text" role="img" aria-hidden="true"> <use xlink:href=".//img/icons.svg#up-circle-icon"></use> </svg></a> </h3> <ul class="spaced"> <li><a href="special/spray-combust/">Benchmark Spray Combustion Database</a>: A collection of spray combustion data from experiments conducted at NIST.</li> <li><a href="special/ngp/">Droplet Laden Flow Data</a>: Results from experiments involving flow over cylinders.</li> </ul> <hr /> <h3 id="Documentation">Documentation <a href="#Top" title="Jump to top of page"> <span class="sr-only">Jump to top of page</span> <svg xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink" class="webbook_icon_text" role="img" aria-hidden="true"> <use xlink:href=".//img/icons.svg#up-circle-icon"></use> </svg></a> </h3> <ul class="spaced"> <li><a href="faq/">Frequently asked questions</a></li> <li><a href="history/">Version history</a></li> <li><a href="guide/">A Guide to the NIST Chemistry WebBook</a>: A guide to this site and the data available from it.</li> <li><a href="ion/">Gas-Phase Ion Thermochemistry</a>: An in-depth explanation of gas phase ion data available from this site.</li> <li><a href="thermo/">NIST Organic Thermochemistry Archive</a>: A description of the primary source of thermochemical data for this site.</li> <li><a href="om/">Organometallic Thermochemistry Database</a>: A description of the organometallic thermochemistry database included in this site.</li> <li><a href="polyatom/">Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules</a>: A description of vibrational and electronic energy level data for molecules with three or more atoms.</li> <li><a href="3d-structs/">Computed 3-D Structures</a>: A description of the manner in which the 3 dimensional structures on this site were generated.</li> <li><a href="coblentz/">Evaluated Infrared Spectra</a>: A description of one of the collections of IR spectra available on this site.</li> <li><a href="silmarils-liquids-n-k/">IARPA / PNNL Liquid Phase IR Spectra</a>: A description of liquid phase quantitative infrared spectra measured at PNNL.</li> <li><a href="silmarils-solids-hrf-drf/">IARPA / PNNL Solid Phase IR Spectra</a>: A description of solid phase quantitative infrared spectra measured at PNNL.</li> <li><a href="quant-ir/">Quantitative Infrared Database</a>: A description of the NIST Quantitative Infrared Database.</li> <li><a href="thz-ir/">THz Spectral Database</a>: A description of THz infrared spectra measured by NIST.</li> <li><a href="uv-vis/">UV/Vis Database User's Guide</a>: A description of the UV/Vis spectra available from this site.</li> <li><a href="gc-ri/" >Gas Chromatographic Retention Data</a>: A description of the retention index data available from this site.</li> <li><a href="../cgi/cbook.cgi?Contrib=">Citation Guide</a>: A Guide to the proper citation of data from this site.</li> </ul> <hr /> <h3 id="Changes">Recent changes to this site <a href="#Top" title="Jump to top of page"> <span class="sr-only">Jump to top of page</span> <svg xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink" class="webbook_icon_text" role="img" aria-hidden="true"> <use xlink:href=".//img/icons.svg#up-circle-icon"></use> </svg></a> </h3> <p> Last major update to the site: January, 2023. </p> <p>Recent changes:</p> <ul class="spaced"> <li>Changed colors for plots to be more accessible.</li> <li>Updated chemical structures.</li> <li>Updated anion thermochemistry data.</li> </ul> <hr /> <h3 id="Notes">Notes <a href="#Top" title="Jump to top of page"> <span class="sr-only">Jump to top of page</span> <svg xmlns="http://www.w3.org/2000/svg" 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