Retention prediction of substituted phenols in reversed-phase HPLC

Abstract

A retention prediction system (RPS) for substituted phenols in reversed-phase HPLC using a ternary mobile phase was investigated. The RPS was used to predict the retention times of the phenols, and then evaluated by comparing measured and predicted retention data. Excellent agreement between both values was obtained. In addition, the retention mechanism of the phenols was investigated by means of a correlation analysis relating the parameters of the RPS to the physicochemical properties of the phenols. The three properties investigated (partition coefficient, hydrophobic substituent constant and Hammett's constant) were used to describe quantitatively the structure-retention relationship. Significant correlating equations between these descriptors and the retention data were obtained.