Comparative predictions of Irgarol 1051 and atrazine fate and toxicity

Mackay fugacity models have been applied to Irgarol 1051 discharged into a model 'unit world marina'. Atrazine was also modelled to provide a comparative distribution for another triazine contaminant. Physicochemical constants for Irgarol 1051 required for use in the Mackay model were not available from the Literature and the necessary data were predicted using quantitative structure activity relationship (QSAR) methods. Toxicity predictions for a range of species were also performed for both Irgarol 1051 and atrazine.