Sprunger Laura, Acree William E, Abraham Michael H
Department of Chemistry, P.O. Box 305070, University of North Texas, Denton, Texas 76203-5070, USA.
J Chem Inf Model. 2007 Sep-Oct;47(5):1808-17. doi: 10.1021/ci700174q. Epub 2007 Jul 27.
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.
已从已发表的文献中收集了200多种化合物的水相至胶束十二烷基硫酸钠(SDS)分配系数数据以及140多种化合物的气相至胶束SDS分配系数数据。结果表明,仅具有五个描述符的亚伯拉罕溶剂化方程可用于将观察到的分配系数数据关联至0.22对数单位的标准偏差范围内。还从文献中收集了在胶束SDS假固定相上测得的胶束电动色谱(MEKC)保留因子数据。将水相至胶束SDS分配系数和MEKC保留因子数据合并到一个数据库中,并与亚伯拉罕模型相关联。得出的相关性将486个实验值描述在0.15对数单位的标准偏差范围内。就气体和蒸气的溶解度而言,已将胶束SDS系统与各种液相进行了比较,结果表明它是一个非常有选择性的系统,比室温离子液体更具选择性。