PREDICTIVE STRATEGIES FOR DETERMINING RETENTION INDEXES OF SOME ALLYLIC ALCOHOLS AND THEIR ESTERS BY GAS-CHROMATOGRAPHY

Improved structure retention index relationships were used to predict retention index values for some allylic alcohols and unsaturated ester s on polar and non-polar stationary phases. Using this method, we were also able to establish group retention factors, for these systems. In these computations, it was found that our predicted retention index v alues had percentage differences to within +/-3.00% of the observed re tention index in more than 95% of the experiments performed. This reco nfirmed the applicability of the retention index increment methodology . The importance of n-pi orbital overlap of lone pairs of electrons an d C=C bonds in these molecules was also shown to be a crucial factor i n establishing the strength of intra- and intermolecular interactions between solute and stationary phases.