In order to investigate the effects of pH value of water phase on the octanol/water partition coefficient of benzoic acid derivatives,the shake-flask method was used to determine the octanol/water partition coefficient of benzoic acid,o-chloro-benzoic acid,m-nitro-benzoic acid and p-methyl-benzoic acid at different pH value of water phase.

The model could predict more effectively the octanol/water partition coefficient (Kow) and the sediment sorption coefficient (Koc) of the polychlorinated organic compounds (PCOCs).

The molecular connectivity indices and quantum chemical parameters,as well as octanol/water partition coefficient( K ow )of these aromatics,were calculated and applied to the quantitative structure property relationship analysis for the K oc values.

The model based entirely on the chemical structure has been derived for accurate prediction of n-octanol/water partition coefficient of hydrocarbon without classification.

Water solubility and n-octanol/water partition coefficient of prednisone acetate were studied by using solubility curve method and shake flask method, respectively.

The regression equation between G,S and n-octanol/water partition coefficient(lg Kow) of PCDFs are proposed as follows:lg Kow=4.

In this paper,molecular debris contribution method and molecular connectivity index were used to estimate the octanol-water partition coefficient and the water solubility of the 35 compounds PAH,and comapared the calculated with the experimental values.

934) between their octanol-water partition coefficients and capacity factors, making possible the prediction of the partition behavior of untested phenylurea herbicides.