We intend calculate values for a series of organic compounds including alcohols, benzenes, anilines, phenols, nitrobenzenes, quinoline, esters, and amines. The values of this propertie for the compounds were published by Hermens and co. [#!ChemResToxicol1998-11-8-847!#]. The present work uses quantum chemistry descriptors and multivariate analysis for estimating the n-octanol/water partition coefficient. The descritors are obtained by ab-initio calculations and solvation effects by Polarizable Continum Model (PCM) [#!ChemRev1994-94-2027!#]. The structures optimized with ab-initio (4-21G) where submited to further calculations of properties with tree different solvents: Water, acetone and cyclohaxane. We obtained the free energy of solvation, the dipole moment and the volumn of cavity in each solvent with GAMESS95 program [#!JComupChem1983-14-1347!#].