The Abraham LSER model equation for deriving partitioning coefficient is of the form

log Kp = c+eE+sS+aA+bB+vV

where the upper case letters are dependent only on the solute that you want to examine. The lower case letters describe the interaction between the solute and the solvent(s) in the system. E, S, A, B, V are the excess molar refractivity (permanent dipole), di(polarizability), hydrogen bond acidity, hydrogen bond basicity, and the molar volume, respectively. All refer only to the solute.

I know that you can use the commercial application Absolve (by ACD/Labs) to estimate these compound-specific constants. Does anyone have a good idea of how to estimate these constants another way so that I might not have to purchase Absolve? I would like be able to generate the constants for environmental organic micropollutants (e.g., PCBs, PCDD/Fs, PBDEs, PAHs).

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