A new approach for modeling bioconcentration factors (BCF) of herbicides, insecticides, and fungicides in fish is presented. Bioconcentration is modeled as a product of thermodynamic and depuration kinetic factors. The thermodynamic component, which considers partitioning to various phases, can be determined a priori from the chemical properties and the biota composition. The depuration kinetic factor, which represents the total contribution of depuration processes to BCF, is primarily dominated by respiratory elimination and biotransformation. A new biotransformation model based on the Abraham solvation parameters was constructed while the conventional model for respiratory elimination was adopted. The final BCF model was tested using a compiled BCF database consisting of measurements for 276 agrochemicals. The performance of the new model was found to be comparable to those of the major BCF models developed for the various environmental agencies.

Predicting the bioconcentration of herbicides, insecticides, and fungicides in fish with partitioning and biotransformation

244th National Meeting (2012)

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