Journal of Chemical and Engineering Data, Vol.53, No.1, 280-282, 2008
Octanol/water partition coefficient of substituted benzene derivatives containing halogens and carboxyls: Determination using the shake-flask method and estimation using the fragment method
Octanol/water partition coefficients K-ow of 10 kinds of selected halogen benzoic acids were determined for the first time using the shake-flask method. Then, a set of group values and factors used to estimate the K-ow of halogen benzoic acids were obtained. For estimation of the Kow of the selected compounds, the average absolute error of log K-ow is 0.15, and the average relative error of K-ow is 39 %.