A Review on Prediction Methods for Molar Enthalpies of Vaporization of Hydrocarbons: The ELBA Method as the Best Answer

Abstract

A review on prediction methods for molar enthalpies of vaporization at T = 298.15 K of hydrocarbons is presented. A new method is proposed and compared with six of the most common used ones from the literature. This new method, the extended Laidler bond additivity (ELBA), was applied to the prediction of standard molar enthalpies of vaporization of hydrocarbons (alkanes, alkenes, alkynes, polyenes, poly-ynes, cycloalkanes, cycloalkenes, benzene compounds, biphenyl compounds, and polyphenyl compounds) at T = 298.15 K. A total of 260 experimental standard molar enthalpies of vaporization at T = 298.15 K were used for the parameters optimization. Comparison between the experimental values and those calculated using ELBA led to an average absolute difference of 0.35 kJ mol−1, corresponding to an average relative error of 0.92%. In addition, this new method proves to be better than the ones used for comparison with an independent set of 83 experimental standard molar enthalpies of vaporization at T = 298.15 K.