Journal of Chemical and Engineering Data, Vol.50, No.1, 246-253, 2005
Group contribution values for the thermodynamic functions of hydration at 298.15 K, 0.1 MPa. 2. Aliphatic thiols, alkyl sulfides, and polysulfides
Group additivity contributions are evaluated for normal and branched thiols (mercaptans), alkyl sulfides, and polysulfides on the basis of a compilation of experimental values of the infinite dilution partial molar Gibbs energy, enthalpy, and heat capacity of hydration, together with molar volumes in aqueous solution at 298.15 K and 0.1 MPa. The thermodynamic data were treated using both first- and second-order group additivity methods. Numerical values of the contributions to each of the thermodynamic properties are obtained for the following first-order S-containing groups: SH, S, S-2, and S-3 as well as for the C-SH correction for the attachment of the thiol group to the tertiary carbon atom. In the case of the second-order group contribution method, numerical values are determined for the groups C-(S)(H)(3), C-(C)(S)(H)(2), C-(C)(2)(S)(H), C-(C)(3)(S), S-(H)(C), S-(C)(2), S-(S)(C), and S-(S)(2).