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A Compilation of Enthalpies of Formation for Hydrogen-Oxygen (HxOy) Species



Donald R. Burgess Jr.


In this work, we have compiled 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 DfH°) 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.
Journal of Research (NIST JRES) -


Thermodynamic properties, Thermochemical network, Ab initio thermochemistry, Enthalpy of formation, Bond dissociation energies, Atomization energies, Hydrogen-oxygen species


Burgess, D. (2016), A Compilation of Enthalpies of Formation for Hydrogen-Oxygen (HxOy) Species, Journal of Research (NIST JRES), National Institute of Standards and Technology, Gaithersburg, MD, [online], (Accessed April 15, 2024)
Created March 11, 2016, Updated November 14, 2018