Group contributions to enthalpies of solvation in octan-1-ol and di- n-butyl ether

Abstract

The standard enthalpies of solvation of selected n-alkanes (hexane, heptane, nonane, decane, dodecane, hexadecane) and aromatic hydrocarbons (benzene, toluene, ethylbenzene) in 1-octanol and di- n-butyl ether (DBE) have been determined at 298.15 K from experimental heats of solution. The values obtained, together with the data collected from literature, form a dataset of 89 and 59 enthalpies of solvation in 1-octanol and di- n-butyl ether, respectively. The data have been employed for setting up a group contributions scheme to the enthalpies of solvation of organic compounds in the two solvents. Two different methods, the first based on a multiple regression analysis, the second consisting by a step procedure which takes the n-alkanes as reference compounds, have been used to calculate the values of the contributions. The different results obtained with these approaches have been compared and discussed.