TY - JOUR
T1 - Group contribution values for the thermodynamic functions of hydration at 298.15 K, 0.1 MPa. 2. Aliphatic thiols, alkyl sulfides, and polysulfides
AU - Plyasunova, Natalia V.
AU - Plyasunov, Andrey V.
AU - Shock, Everett
PY - 2005/1
Y1 - 2005/1
N2 - 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.
AB - 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.
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U2 - 10.1021/je0497045
DO - 10.1021/je0497045
M3 - Article
AN - SCOPUS:12344281340
SN - 0021-9568
VL - 50
SP - 246
EP - 253
JO - Journal of Chemical and Engineering Data
JF - Journal of Chemical and Engineering Data
IS - 1
ER -