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: Journal of Physical and Chemical Reference Data
Issue: No. 2
Pub Type: Journals
critical evaluation, spectroscopic properties, thermodynamic properties