Details

Autor(en) / Beteiligte

• Taft, R.W.
• Abraham, Michael H.
• Famini, George R.
• Doherty, Ruth M.
• Abboud, José-Luis M.
• Kamlet, Mortimer J.

Titel

Solubility Properties in Polymers and Biological Media 5: An Analysis of the Physicochemical Properties Which Influence Octanol–Water Partition Coefficients of Aliphatic and Aromatic Solutes

Ist Teil von

• Journal of pharmaceutical sciences, 1985-08, Vol.74 (8), p.807-814

Ort / Verlag

Washington: Elsevier Inc

Erscheinungsjahr

1985

Quelle

Wiley Online Library - AutoHoldings Journals

Beschreibungen/Notizen

• Octanol–water partition coefficents of 102 aliphatic, polychloro aliphatic, and aromatic non-hydrogen-bond donor and hydrogen-bond donor solutes are well correlated (r=0.989, SD=0.175) by the equalion: Kow=0.20+2.74V¯/100−0.92π*−3.49β, where V¯ is the molar volume (taken as the molecualr weight divided by the liquid density) and π* and β are the solvatochromic parameters that measure solute dipolarity/polarizability and hydrogen-bond acceptor basicity. A set of “ground rules” (modifications of the input parameters) are described which allow the inclusion of both aliphatic and aromatic solutes in the same correlation equation. Monomer β values (βm) are used for alcohol solutes.