Record Details

A thermodynamic study of ketoreductase-catalyzed reactions 3. Reduction of 1-phenyl-1-alkanones in non-aqueous solvents

DSpace at IIT Bombay

View Archive Info
 
 
Field Value
 
Title A thermodynamic study of ketoreductase-catalyzed reactions 3. Reduction of 1-phenyl-1-alkanones in non-aqueous solvents
 
Creator TEWARI, YADU B
NAND KISHORE
ROZZELL, JDAVID
VANDERAH, DAVID J
SCHANTZ, MICHELE M
 
Subject gibbs free energy
gas chromatography
rate constants
thermodynamic properties
 
Description The equilibrium constants K for the reactions (1-phenyl-1-alkanone + 2-propanol = 1-phenyl-1-alkanol + acetone) in the solvents n-pentane and n-hexane have been determined by using gas chromatography at the temperature 298.15 K. The 1-phenyl-1-alkaones included in this study were: 1-phenyl-1-ethanone, 1-phenyl-1-propanone, 1-phenyl-1-butanone, 1-phenyl-1-pentanone, 1-phenyl-1-hexanone, and 1-phenyl-1-heptanone. The equilibrium constants for the reaction involving 1-phenyl-1-ethanone were measured in the solvent n-hexane as a function of temperature (288 K to 308 K). The calculated thermodynamic quantities for the 1-phenyl-1-ethanone reaction at T = 298.15 K are: K = 0.2177 ± 0.0018; the standard molar Gibbs free energy change, ∆rGmo=(3.78±0.02)kJ·mol-1, the standard molar enthalpy change, ∆rHmo=(4.53±0.87)kJ·mol-1, and the standard molar entropy change, ∆rSmo=(2.5±2.9)J·K-1·mol-1. The equilibrium constants of 1-phenyl-1-alkanone with an odd number of carbons in alkyl side chain are higher than the equilibrium constants of the preceding 1-phenyl-1-alkanone having an even number of carbons in the side chain and follow a zig-zag pattern with increasing carbon number in the alkyl side chain.
 
Publisher Elsevier
 
Date 2009-03-02T12:56:42Z
2011-11-25T18:26:08Z
2011-12-26T13:06:42Z
2011-12-27T05:54:42Z
2009-03-02T12:56:42Z
2011-11-25T18:26:08Z
2011-12-26T13:06:42Z
2011-12-27T05:54:42Z
2006
 
Type Article
 
Identifier The Journal of Chemical Thermodynamics 38(10), 1165-1171
0021-9614
http://dx.doi.org/10.1016/j.jct.2005.12.014
http://hdl.handle.net/10054/850
http://dspace.library.iitb.ac.in/xmlui/handle/10054/850
 
Language en