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 298.15K 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.

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

BERNAZZANI, LUCA;MOLLICA, VINCENZO;
2004

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 298.15K 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.
Bernazzani, Luca; Gianni, P; Mollica, Vincenzo; Pizzolla, P.
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11568/187254
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