Linear solvation energy relationship. 46. An improved equation for correlation and prediction of octanol/water partition coefficients of organic nonelectrolytes (including strong hydrogen bond donor solutes)

1988 ◽  
Vol 92 (18) ◽  
pp. 5244-5255 ◽  
Author(s):  
Mortimer J. Kamlet ◽  
Ruth M. Doherty ◽  
Michael H. Abraham ◽  
Yizhak Marcus ◽  
Robert W. Taft
Keyword(s):  
Hydrogen Bond ◽  
Partition Coefficients ◽  
Solvation Energy ◽  
Strong Hydrogen Bond ◽  
Hydrogen Bond Donor ◽  
Linear Solvation Energy Relationship ◽  
Linear Solvation Energy ◽  
Linear Solvation

Linear Solvation Energy Relationship in the Reaction between Phenacyl Bromide and 2-Mercaptobenzothiazole

2009 ◽  
Vol 34 (3) ◽  
pp. 239-248 ◽  
Author(s):  
B. Ramesh ◽  
D. Vijaya Bharathi ◽  
B. Kavitha ◽  
P. Manikyamba
Keyword(s):  
Hydrogen Bond ◽  
Rate Constants ◽  
Solvation Energy ◽  
Phenacyl Bromide ◽  
Aprotic Solvents ◽  
Hydrogen Bond Donor ◽  
Linear Solvation Energy Relationship ◽  
Donor Ability ◽  
Linear Solvation Energy ◽  
Linear Solvation

The reaction between phenacyl bromide and 2-mercaptobenzothiazole was studied conductometrically in 17 different protic and aprotic solvents. The second order rate constants determined are found to be highly susceptible to changes in the solvation abilities of the solvents. Correlation of the rate constants with different solvent parameters indicated that the solvation of the reactants and the transition state is due to the electrophilicity, hydrogen bond donor ability, specific polarisability and a non-specific polarity of the solvent. by statistical analysis, a linear solvation energy relationship is derived and the percentage contributions of each type of solvation are estimated.

Correlation of gas–liquid partition coefficients using a generalized linear solvation energy relationship

2005 ◽  
Vol 80 (2) ◽  
pp. 183-188 ◽  
Author(s):  
Jung Hag Park ◽  
Young Kyu Lee ◽  
Jin Soon Cha ◽  
Seog K. Kim ◽  
Yong Rok Lee ◽  
...  
Keyword(s):  
Partition Coefficients ◽  
Solvation Energy ◽  
Linear Solvation Energy Relationship ◽  
Linear Solvation Energy ◽  
Linear Solvation
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