Modelling of the critical micelle concentration of cationic gemini surfactants using molecular connectivity indices

Abstract

Modelling of the critical micelle concentrations (cmc) using the molecular connectivity indices was performed for a set of 21 cationic gemini surfactants with medium-length spacers. The obtained model contains only the second-order Kier and Hall molecular connectivity index. It is suggested that the index 2 χ includes some information about flexibility. The obtained model was used to predict log10 cmc of other cationic gemini surfactants. The agreement between calculated and experimental values of log10 cmc for the gemini surfactants that were not used in the correlation is very good. © 2013 The Author(s).