Linear Free Energy Relationship Correlation of the Distribution of Solutes between Water and Sodium Dodecyl Sulfate (SDS) Micelles and between Gas and SDS Micelles

• Published in: Journal of chemical information and modeling 2007-09, Vol.47 (5), p.1808-1817
• Main Authors: Sprunger, Laura, Acree, William E, Abraham, Michael H
• Format: Article
• Language: English
• Subjects: Algorithms; Atoms & subatomic particles; Chemical compounds; Chemical Phenomena; Chemistry, Physical; Chromatography, Micellar Electrokinetic Capillary; Gases; Micelles; Models, Chemical; Regression Analysis; Sodium; Sodium Dodecyl Sulfate - chemistry; Solute movement; Solutions; Solvents; Water; Water - chemistry
• ISSN: 1549-9596; 1549-960X
• DOI: 10.1021/ci700174q

Data have been assembled from the published literature on the water-to-micellar sodium dodecyl sulfate (SDS) partition coefficient data for more than 200 compounds and on the gas-to-micellar SDS partition coefficient data for more than 140 compounds. It is shown that an Abraham solvation equation with only five descriptors can be used to correlate the observed partition coefficient data to within a standard deviation of 0.22 log units. Micellar electrokinetic chromatographic (MEKC) retention factor data measured on a micellar SDS pseudostationary phase was also gathered from the literature. The water-to-micellar SDS partition coefficient and MEKC retention factor data were combined into a single database and correlated with the Abraham model. The derived correlation described the 486 experimental values to within a standard deviation of 0.15 log units. The micellar SDS system has been compared to various liquid phases in terms of solubility of gases and vapors and has been shown to be a very selective systemmore so than room-temperature ionic liquids.