title: Practical methods for the measurement of logP for surfactants.
abstract: Hydrophobicity is a commonly used parameter in quantitative structure activity relationships. The ability to determine the octanol-water partition coefficient (logP) empirically for non-ionizing, non-surfactant type chemicals using traditional stir-flask methods has been successful and well documented. In comparison the ability to measure logP for surfactants is considered impractical due to their amphiphilic nature, which gives them a tendency to form micelles and reside at the octanol-water interface. In this study we have shown that working with compounds below their critical micelle concentrations (CMC), at the experimental concentrations, it is possible to obtain experimental logP values for a series of sulphobetaines using the stir-flask method coupled with reversed phase-high performance liquid chromatography (RP-HPLC). Until now the ability to verify calculated logP values for surfactants has been limited. Measuring logP as described here can now be applied to other surfactants to validate existing and new modifications to the fragment method.
authors.affiliation: University of Wales Swansea, Singleton Park, Swansea SA2 8PP, UK.
authors.forename: J
authors.initials: J
authors.lastname: Short
authors.forename: J
authors.initials: J
authors.lastname: Roberts
authors.forename: D W
authors.initials: DW
authors.lastname: Roberts
authors.forename: G
authors.initials: G
authors.lastname: Hodges
authors.forename: S
authors.initials: S
authors.lastname: Gutsell
authors.forename: R S
authors.initials: RS
authors.lastname: Ward
mesh_terms: D001622:Betaine / Q000031:analogs & derivatives* / Q000737:chemistry; D002851:Chromatography, High Pressure Liquid / Q000379:methods; D057927:Hydrophobic and Hydrophilic Interactions; D009682:Magnetic Resonance Spectroscopy / Q000379:methods; D021281:Quantitative Structure-Activity Relationship; D013501:Surface-Active Agents / Q000737:chemistry*
chemical_list: D013501:Surface-Active Agents; D001622:Betaine; C483727:sulfobetaine