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NIST-JANAF Thermochemical Tables. I. Ten Organic Molecules Related to Atmospheric Chemistry

Published

Author(s)

O Dorofeeva, V Novikov, Dan A. Neumann

Abstract

The structural, spectroscopic, and thermodynamic properties of ten organic molecules in the gas phase, including three peroxides and four carboxylic acids, have been reviewed. The calculation of the thermochemical tables involved the critical evaluation of new spectroscopic data, enthalpy of formation determinations, and the use of recent internal rotation data. Since insufficient information to characterize all ten molecules, estimation schemes were used to provide the missing experimental and theoretical data.
Citation
J. Phys. & Chem. Ref. Data (JPCRD) -
Volume
30
Issue
No. 2

Keywords

critical evaluation, spectroscopic properties, thermodynamic properties

Citation

Dorofeeva, O. , Novikov, V. and Neumann, D. (2001), NIST-JANAF Thermochemical Tables. I. Ten Organic Molecules Related to Atmospheric Chemistry, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD (Accessed April 17, 2024)
Created March 31, 2001, Updated October 12, 2021