Estimating the environmental behavior of inorganic and organometal contaminants: Solubilities, bioaccumulation, and acute aquatic toxicities

The estimation of environmental properties of inorganic species has been difficult. In this presentation aqueous solubility, bioconcentration and acute aquatic toxicity are estimated for inorganic compounds using existing Linear Solvation Energy Relationship (LSER) equations. Many estimations fall within an order of magnitude of the measured property. For complex solution chemistry, the accuracy of the estimations improve with the more complete description of the solution species present. The toxicities also depend on an estimation of the bioactive amount and configuration. A number of anion/cation combinations (salts) still resist accurate property estimation, and the reasons currently are not understood. These new variable values will greatly extend the application and utility of LSER for the estimation of environmental properties.