Partition coefficients of ketones, phenols, aliphatic and aromatic acids, and esters in n-hexane/nitromethane

Central European Journal of Chemistry (Impact Factor: 1.33). 10/2011; 9(5):813-824. DOI: 10.2478/s11532-011-0060-4

ABSTRACT Liquid-liquid partition is used in sample preparation and in countercurrent and liquid-liquid chromatographic separations.
Partition coefficients are widely used in toxicology, environmental, and analytical chemistry. The K

determination procedure for the n-hexane/nitromethane system was optimized and partition coefficients for 99 ketones, esters and trimethylsilyl derivatives
of phenols, aliphatic and aromatic acids were determined. For 130 compounds, K

values were predicted using mathematical relationships between K

and other physicochemical and structural parameters.

KeywordsPartition coefficients–n-Hexane/nitromethane system–Structure-partitioning relationships

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