Abstract
A method that permits a semiquantitative estimate of the partitioning of any solute between any two media is presented. As an example, the organic solvent-water partition coefficients P are calculated. Program GSCAP is written as a version of Pascal's SCAP program. The only needed parameters are the dielectric constant and molecular volume of the organic solvent. The log P results are compared with the Pomona database. The average absolute deviation is 1.48 log units and the standard deviation is 1.66 log units.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have