ESTIMATING ENTROPIES AND ENTHALPIES OF FUSION OF HYDROCARBONS

A group additivity method for estimating fusion entropies and fusion enthalpies is described. The method is based on experimental fusion enthalpies of 191 hydrocarbons. Group values are provided for most structural environments. Applications of the technique are described, and comparisons with literature values and other estimation techniques are also included. The average deviation between experimental and calculated fusion entropies and enthalpies is ±1.85 eu and ±0.56 kcal/mol, respectively. © 1990, American Chemical Society. All rights reserved.