Abstract

A new group contribution method for estimating the enthalpy of vaporization at 298.15 K (ΔHV(298.15 K)) and at the normal boiling temperature (ΔHV(Tb)), as well as the entropy of vaporization at the normal boiling temperature (ΔSV(Tb)), of pure organic compounds has been developed. Large databases of critically assessed data have been used for group contribution calculations: data for 831 compounds have been used for estimations at 298.15 K, and data for 589 compounds have been used for estimations at the normal boiling temperature. Values obtained by the method developed here have been compared with estimations by the Ducros, Chickos, and Ma and Zhao group contribution methods and by empirical equations by Vetere. A statistical analysis of the regressed data has been also performed, indicating the confidence of the regressed parameters and other related information. The average relative errors (ARE) for the new method are as follows: for ΔHV(298.15 K), 2.2%; for ΔHV(Tb), 2.6%; and for ΔSV(Tb), 1.8%. Th...

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