TY - JOUR
T1 - Group contribution values for the thermodynamic functions of hydration at 298.15 K, 0.1 MPa. 4. Aliphatic nitriles and dinitriles
AU - Plyasunov, Andrey V.
AU - Plyasunova, Natalia V.
AU - Shock, Everett
PY - 2006/9/1
Y1 - 2006/9/1
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.
UR - http://www.scopus.com/inward/record.url?scp=33749819632&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=33749819632&partnerID=8YFLogxK
U2 - 10.1021/je060129+
DO - 10.1021/je060129+
M3 - Review article
AN - SCOPUS:33749819632
SN - 0021-9568
VL - 51
SP - 1481
EP - 1490
JO - Journal of Chemical and Engineering Data
JF - Journal of Chemical and Engineering Data
IS - 5
ER -