CORRELATION BETWEEN GAS-CHROMATOGRAPHIC RETENTION INDEXES OF LINEAR ALKYLBENZENE ISOMERS AND MOLECULAR CONNECTIVITY INDEXES

The gas chromatographic retention indices of linear alkylbenzene isomers (LABs), with C-10-C-14 linear alkyl chains were correlated using different molecular connectivity indices. The single linear correlations showed that these do not explain the chromatographic retention of the isomeric structures. Corrected molecular connectivity indices, searching to consider the steric effects produced by the phenyl group on the alkyl chain, showed a good correlation with the retention indices of LABs and a correct elution sequence. Multiple linear correlation with connectivity indices that encode complementary information gives good correlation coefficients and the correct elution sequence of most of the compounds.