Estimation of the enthalpy of vaporization of organic components as a function of temperature using a new group contribution method

摘要

A newgroup contributionmethod has been developed for estimating the enthalpy of vaporization of pure organic compounds as a function of temperature in the range from the standard temperature, 298.15 K, to the normal boiling point. The group contribution parameters have been developed from an experimental database of more than 940 enthalpy of vaporization values. The proposed method is easy to use. The results are discussed and compared with those of currently used models for estimating the enthalpy of vaporization as a function of temperature. This model shows a low average relative error of 1.47% and an average absolute error of 0.55 kJ/mol.