Belhachemi, B. University Abou Bakr Belkaïd - Faculty of Sciences - Department of Chemistry, Algeria , Canselier, J.P. E.N.S.I.A.C.E.T., France

ESTIMATION OF BIO-ACCUMULATION BY A GROUP CONTRIBUTION METHOD

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The majority of organic pollutants, after their dispersion in water then their ingestion, have a strong tendency to accumulate in greases. That is due to the hydrophobic character of these molecules.To have an idea on the capacity of a substance to accumulate in the alive beings according to their lipidic mass, the modeling of the pollutant behaviour was made byconsidering its partition coefficient between n-octanol (representing the lipidic mass) andwater. Its knowledge represents a very significant information for the petrochemical and the pharmaceutical industries.To dissipate any doubt about confidence concerning the obtained results, it is considered useful to check the effectiveness of UNIFAC method on the monomethylbenzoïc acid such as, for example, the 3-methylbenzoïc acid whose n-octanol – water partition coefficient is already listed in the literature. The small deviations observed between the n-octanol–water partition coefficients listed in the literature and the one calculated according UNIFAC method encouraged us toapply it in order to predict the n-octanol–water partition coefficient of the dimethylbenzoïc acid.

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octanol–water partition coefficient , group contribution model , UNIFAC method , bioaccumlution , dimethylbenzoïc acid

Lebanese Science Journal

105