Experimental partition determination of octanol-water coefficients of ferrocene derivatives using square wave voltammetry techniques

Abstract

An electrochemical method based on square wave voltammetry was developed for the measurement of octanol-water partition coefficient, LogP, for ten ferrocene derivatives. Measured LogP values ranged over two orders of magnitude, between 2.18 for 1- ferrocenylethanol and 4.38 for ferrocenyl-2-nitrophenyl. The measured LogP values  were compared with those obtained by  theoretical calculations developed on the basis of the adaptation of the Rekker method. The correlation coefficient of 0.992 for the comparison of experimental LogP values with those obtained by theoretical calculations indicates an excellent agreement.

Keywords: Partition coefficients, log P, ferrocene derivatives, square wave voltammetry.