Group contribution values for the thermodynamic functions of hydration at 298.15 K, 0.1 MPa. 3. aliphatic monoethers, diethers, and polyethers

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

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Abstract

A compilation of experimental values of the infinite dilution partial molar Gibbs energy, enthalpy, and heat capacity of hydration, together with partial molar volumes in water at 298.15 K and 0.1 MPa is presented for aliphatic monoethers, diethers, and polyethers. These data are treated in the framework of the first- and second-order group additivity methods. However, third- and higher-order effects (i.e., interactions expressed beyond the nearest neighbors) are clearly present in aqueous ethers. The effects can be accounted for by the introduction of a number of corrections. For the second-order group contribution method, numerical values are determined for the following groups: C-(C) 2(H)(O) ether C-(C) 3(O) ether O-(C) 2. C-(H) 2(O) 2, C-(C)(O) 2(H), and corrections: a "ethoxyalkane" correction, {CH 3-CH 2-O-CH 2}, and a "diether" correction, {O-(CH 2) 2-O}. For the first-order group contribution method, in addition to the "ether" O group, a large number of corrections appears to be necessary for accurate reproduction of the compiled data: "ethoxyalkane", and "diether", corrections, two "acetal", {OCH 2-O} and {O-CH(CH 3)-O}, corrections, as well as "tertiary", {O tert-O}, and "ternary", {HC tern-O}, corrections, applied to monoethers that have direct contacts of tertiary and ternary carbon atom with oxygen.

Original languageEnglish (US)
Pages (from-to)276-290
Number of pages15
JournalJournal of Chemical and Engineering Data
Volume51
Issue number1
DOIs
StatePublished - Jan 1 2006

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)

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