DESCRIPTION OF FISH BIOCONCENTRATION FACTORS IN TERMS OF SOLVATOCHROMIC PARAMETERS

The application of linear solvation energy relationships containing solvatochromic parameters to the description of fish bioconcentration factors for chlorinated hydrocarbons is investigated. Results indicate that, in contrast to solvents such as water and 1-octanol, cavity formation energy is a non-linear function of solute molecular volume for lipid phases. This factor may account for the eventual loss of linearity observed in plots of relationships between the logarithms of bioconcentration factor (KB) and 1-octanol/water partition coefficient (KOW), for solutes of relatively large molecular volume. Additionally, it suggests that solvation energy relationships involving fish bioconcentration factors are more satisfactorily described in terms of ( VI 100)n, VI 100, π*-dδ and β. To illustrate the utility of this approach, hydrogen bonding, dipolar and cavity formation energy contributions to bioconcentration in fish are estimated for tetrachlorethene and decachlorobiphenyl. © 1990.