Partition coefficients of alkyl aromatic hydrocarbons and esters in a hexane-acetonitrile system

Partition coefficients (K-p) in a heterogeneous system consisting of two im miscible organic solvents can be successfully used for a supplementary iden tification parameter in qualitative GC and GC-MS analysis of organic compou nds. For rapid addition to database of K-p values, calculation methods base d on the well-known 'retention-structure relationships' approach can be use d. This paper reports the experimentally determined and calculated K-p valu es for 252 compounds including alkyl aromatic hydrocarbons and esters. It i s shown that for group identification of components it is desirable to use not the K-P values themselves but the parameter j which is a combination of KP and gas chromatographic retention indices: j = kI - log K-p. (C) 2001 E lsevier Science B.V. All rights reserved.