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Recommended Gas Phase Enthalpies of Formation for Hydrogen-Oxygen (HxOy) Species

Metadata Updated: July 29, 2022

Datasets in digital electronic formats are provided for data contained in the publication "Recommended Values for the Gas Phase Enthalpies of Formation of Hydrogen-Oxygen Species;" J. Res. Natl. Inst. Stand. Technol. 121, 108-138 (2016); DOI: 10.6028/jres.121.005. In this work, we compiled gas phase enthalpies of formation for nine hydrogen-oxygen species (HxOy) and selected values for use. The compilation consists of values derived from experimental measurements, quantum chemical calculations, and evaluations. This work updates the recommended values in the NIST-JANAF (1985) and Gurvich et al (1989) thermochemical tables for seven species. For two species, HO3 and H2O3 (important in atmospheric chemistry) and not found in prior thermochemical evaluations, we also provide tables of thermochemical functions (Cp, S°, H°, and ?fH°) as a function of temperature. In this work, we also provide supplementary data for the species consisting of zero point energies, vibrational frequencies, and ion reaction energetics.

Access & Use Information

Public: This dataset is intended for public access and use. License: See this page for license information.

Downloads & Resources

References

https://dx.doi.org/10.6028/jres.121.005

Dates

Metadata Created Date March 11, 2021
Metadata Updated Date July 29, 2022
Data Update Frequency irregular

Metadata Source

Harvested from NIST

Additional Metadata

Resource Type Dataset
Metadata Created Date March 11, 2021
Metadata Updated Date July 29, 2022
Publisher National Institute of Standards and Technology
Maintainer
Identifier 2F4AD9932475971EE0531A57068107B31453
Language en
Data Last Modified 2016-03-11 00:00:00
Category Standards:Reference data, Chemistry:Chemical thermodynamics and chemical properties
Public Access Level public
Data Update Frequency irregular
Bureau Code 006:55
Metadata Context https://project-open-data.cio.gov/v1.1/schema/data.json
Schema Version https://project-open-data.cio.gov/v1.1/schema
Catalog Describedby https://project-open-data.cio.gov/v1.1/schema/catalog.json
Harvest Object Id ed228bcc-3587-4d9d-bc81-165dbb2811f1
Harvest Source Id 74e175d9-66b3-4323-ac98-e2a90eeb93c0
Harvest Source Title NIST
Homepage URL https://data.nist.gov/od/id/2F4AD9932475971EE0531A57068107B31453
License https://www.nist.gov/open/license
Program Code 006:045
Related Documents https://dx.doi.org/10.6028/jres.121.005
Source Datajson Identifier True
Source Hash e2ef54d4e582fe436081785eb87bd3f8e6ea608a
Source Schema Version 1.1

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