Group contribution values for the thermodynamic functions of hydration at 298.15 K, 0.1 MPa. 2. Aliphatic thiols, alkyl sulfides, and polysulfides

Natalia V. Plyasunova, Andrey V. Plyasunov, Everett Shock

Research output: Contribution to journalArticle

22 Scopus citations

Abstract

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.

Original languageEnglish (US)
Pages (from-to)246-253
Number of pages8
JournalJournal of Chemical and Engineering Data
Volume50
Issue number1
DOIs
StatePublished - Jan 1 2005

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)

Fingerprint Dive into the research topics of 'Group contribution values for the thermodynamic functions of hydration at 298.15 K, 0.1 MPa. 2. Aliphatic thiols, alkyl sulfides, and polysulfides'. Together they form a unique fingerprint.

  • Cite this