Reference

Nonadditivity of 1-octanol/water partition coefficients of disubstituted benzenes: an explanation and its consideration in log P estimation

Nonadditivity of 1-octanol/water partition coefficients of disubstituted benzenes: an explanation and its consideration in log P estimation. Dunn, W. J., III; Johansson, E.; Wold, S. (Coll. Pharm.Chemicals with cas numbers 585-76-2 and 1073-06-9 also play role., Univ. Illinois, Chicago, IL, USA). Quant. Struct.-Act. Relat. Pharmacol., Chem. Biol., 2(4), 156-63 (English) 1983. CODEN: QSARDI. ISSN: 0722-3676. DOCUMENT TYPE: Journal CA Section: 1 (Pharmacology) Section cross-reference(s): 22 Partition-coeff. data (log P) for 121 benzene derivs. in the 1-octanol/water system were subjected to principal components anal. (PCA). The statistical anal. shows an interaction between substituents on a benzene nucleus that affects log P values in a measurable way. The interaction can be modeled by Hammet's s, and is probably due to differences in solvent-solute hydrogen bonding in the 2 phases (1-octanol and water). The significance of these results for the prediction of log P values is discussed. .

Effect of solvent nature on kinetics of the reaction of substituted benzoic acids with thionyl chloride

Gitis, S. S.; Vulakh. E. L.; Freidlin, E. G.; Freidlin, Yu. G. (Tul. Gos. Pedagog. Inst. im. Tolstogo, Tula, USSR). Izv. Vyssh. Uchebn. Zaved., Khim. Khim. 100-09-4 and 585-76-2 are also in the experiment. Tekhnol., 20(1), 86-9 (Russian) 1977. CODEN: IVUKAR. DOCUMENT TYPE: Journal CA Section: 22 (Physical Organic Chemistry) The rate consts. for the reaction of RC6H4CO2H (R = m-Br, m-MeO, H, m-Me, p-Me, p-MeO) with SOCl2 generally increased with increasing electron-donating ability of R and with increasing solvent dielec. const. Specific solvation effects were important in certain cases. Activation parameters were detd. for the BzOH-SOCl2 reaction in 10 different solvents. .