Group Contribution Values for the Thermodynamic Functions of Hydration at 298.15 K, 0.1 MPa. 4. Aliphatic Nitriles and Dinitriles

• Autores: Andrey V. Plyasunov, Natalia V. Plyasunova, Everett L. Shock
• Localización: Journal of chemical and engineering data, ISSN 0021-9568, Vol. 51, Nº. 5, 2006, págs. 1481-1490
• Idioma: inglés
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• Resumen

  • 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-(CH2)2-CN}corr and {CN-(CH2)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.