Group contribution values for the thermodynamic functions of hydration at 298.15 K, 0.1 MPa. 4. Aliphatic nitriles and dinitriles

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

Research output: Contribution to journalArticle

15 Citations (Scopus)

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 nitriles and dinitriles. These data are treated in the framework of the first- and second-order group additivity methods. Thermodynamic properties are determined for the first-order CN group and for the following second-order groups: C-(CN)(C)(H) 2, C-(CN)(C) 2(H), and CN-(C). The relatively long-range dipole-dipole interactions of two terminal nitrile groups require additional corrections, {CN-(CH 2) 2-CN} corr and {CN-(CH 2) 3-CN} corr, for lower dinitriles. New experimental studies of aqueous branched mononitriles and lower dinitriles (particularly propanedinitrile) are required to expand the usefulness and accuracy of group contribution models for aqueous nitriles.

Original languageEnglish (US)
Pages (from-to)1481-1490
Number of pages10
JournalJournal of Chemical and Engineering Data
Volume51
Issue number5
DOIs
StatePublished - Sep 2006

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Nitriles
Gibbs free energy
Hydration
Density (specific gravity)
Dilution
Specific heat
Enthalpy
Thermodynamic properties
Thermodynamics
Water

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)

Cite this

Group contribution values for the thermodynamic functions of hydration at 298.15 K, 0.1 MPa. 4. Aliphatic nitriles and dinitriles. / Plyasunov, Andrey V.; Plyasunova, Natalia V.; Shock, Everett.

In: Journal of Chemical and Engineering Data, Vol. 51, No. 5, 09.2006, p. 1481-1490.

Research output: Contribution to journalArticle

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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 nitriles and dinitriles. These data are treated in the framework of the first- and second-order group additivity methods. Thermodynamic properties are determined for the first-order CN group and for the following second-order groups: C-(CN)(C)(H) 2, C-(CN)(C) 2(H), and CN-(C). The relatively long-range dipole-dipole interactions of two terminal nitrile groups require additional corrections, {CN-(CH 2) 2-CN} corr and {CN-(CH 2) 3-CN} corr, for lower dinitriles. New experimental studies of aqueous branched mononitriles and lower dinitriles (particularly propanedinitrile) are required to expand the usefulness and accuracy of group contribution models for aqueous nitriles.",
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N2 - 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 nitriles and dinitriles. These data are treated in the framework of the first- and second-order group additivity methods. Thermodynamic properties are determined for the first-order CN group and for the following second-order groups: C-(CN)(C)(H) 2, C-(CN)(C) 2(H), and CN-(C). The relatively long-range dipole-dipole interactions of two terminal nitrile groups require additional corrections, {CN-(CH 2) 2-CN} corr and {CN-(CH 2) 3-CN} corr, for lower dinitriles. New experimental studies of aqueous branched mononitriles and lower dinitriles (particularly propanedinitrile) are required to expand the usefulness and accuracy of group contribution models for aqueous nitriles.

AB - 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 nitriles and dinitriles. These data are treated in the framework of the first- and second-order group additivity methods. Thermodynamic properties are determined for the first-order CN group and for the following second-order groups: C-(CN)(C)(H) 2, C-(CN)(C) 2(H), and CN-(C). The relatively long-range dipole-dipole interactions of two terminal nitrile groups require additional corrections, {CN-(CH 2) 2-CN} corr and {CN-(CH 2) 3-CN} corr, for lower dinitriles. New experimental studies of aqueous branched mononitriles and lower dinitriles (particularly propanedinitrile) are required to expand the usefulness and accuracy of group contribution models for aqueous nitriles.

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