TY - JOUR
T1 - A Study on pK aapp and Partition Coefficient of Substituted Benzoic Acids in SDS Anionic Micellar System
AU - Garrone, Adele
AU - Marengo, Emilio
AU - Fornatto, Elisa
AU - Gasco, Alberto
PY - 1992
Y1 - 1992
N2 - Apparent ionization constants (pK aapp) of a series of m‐ and p‐ substituted benzoic acids were measured by potentiometric titrations in an anionic micellar system (SDS, Sodium Dodecyl Sulphate). From these data, the binding constant K HAB and the partition coefficient between micellar and aqueous pseudophases Pmic, were estimated for each derivative. Collander type regressions between log Pmic and log Poct are discussed. pK aapp values correlate well with a linear combination of σ, πoct and MR molecular descriptors.
AB - Apparent ionization constants (pK aapp) of a series of m‐ and p‐ substituted benzoic acids were measured by potentiometric titrations in an anionic micellar system (SDS, Sodium Dodecyl Sulphate). From these data, the binding constant K HAB and the partition coefficient between micellar and aqueous pseudophases Pmic, were estimated for each derivative. Collander type regressions between log Pmic and log Poct are discussed. pK aapp values correlate well with a linear combination of σ, πoct and MR molecular descriptors.
KW - Benzoic acids
KW - SDS binding constant
KW - SDS micelle partition coefficient
KW - apparent ionization constant
KW - quantitative structure‐hydrophobicity relationship
UR - http://www.scopus.com/inward/record.url?scp=0026755509&partnerID=8YFLogxK
U2 - 10.1002/qsar.19920110207
DO - 10.1002/qsar.19920110207
M3 - Article
SN - 0931-8771
VL - 11
SP - 171
EP - 175
JO - Molecular Informatics
JF - Molecular Informatics
IS - 2
ER -