NIST-JANAF thermochemical tables. I. Ten organic molecules related to atmospheric chemistry

The structural, spectroscopic, and thermodynamic properties of 10 gas phase organic molecules related to atmospheric chemistry, including three peroxi des and four carboxylic acids, are reviewed. The calculation of the thermoc hemical tables involved the critical evaluation of new spectroscopic data, enthalpy of formation determinations, and the use of recent internal rotati on data. Since insufficient information to characterize all 10 molecules ex ists, estimation schemes were used to provide the missing experimental and theoretical data. (C) 2001 by the U.S. Secretary of Commerce on behalf of t he United States. All rights reserved.