A compilation of experimental values of the infinite dilution partial molar Gibbs energy, enthalpy, and
heat capacity of hydration, together with molar volumes in water at 298.15 K and 0.1 MPa, is presented
for aliphatic esters. These data, combined with the related results for aliphatic hydrocarbons, monohydric
alcohols, and ketones, are treated in the framework of the first- and second-order group additivity methods.
Numerical values of the contributions to each of the thermodynamic properties are obtained by a least-squares procedure for the following first-order groups: CH3, CH2, CH, C, OH, CO, COO, and COOH as
well as for the C−OH, C−CO, and C−COO corrections for the attachment of the polar groups to the
tertiary carbon atom. For the case of the second-order group contribution method, numerical values are
retrieved for the following groups: C−(C)(H)3, C−(C)2(H)2, C−(C)3(H), C−(C)4, C−(C)(H)2(O), C−(C)2(H)(O)alcohol, C−(C)3(O)alcohol, O−(H)(C), CO−(C)2, C−(CO)(H)2(C), C−(CO)(H)(C)2, C−(CO)(C)3, C−(C)2(H)(O)ester, and C−(C)3(O)ester and for the provisional “ester” COO−(C)2 and “methanoate” HCOO−(C) groups.
