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KMID : 1059519940380020108
Journal of the Korean Chemical Society
1994 Volume.38 No. 2 p.108 ~ p.121
Prediction of Retention Indices of Various Compounds in Gas-Liquid Chromatography
Cha Ki-Won

Lee Duck-Jae
Abstract
The retention indices of branched-chain alkane, benzene ring, alcohol, amine, ketone, aldehyde and cyclic compounds were measured at 150, 180 and 210¡É on OV-1701 and OV-1 capillary columns. The group retention factors (GRF) of the substituents and the st` ructure retention factors (SRF) of the molecular structure change are derived from the retention indices of reference compounds and series of homologues. The GRFf equation of `f'th substituent is GRFf = Iobs-(100Z + ¥ÒGRFi + ¥ÒSRFi)and the SRFf equation of `f'th molecular structure group is SRFf = Iobs-(100Z + ¥ÒGRFi + ¥ÒSRFi). The predicted retention indices for those compound were in agreement, within the error of ¡¾2 and ¡¾3%, with the observed values that were obtained using the OV-1701 and OV-1 capillary column, respectively. The ¡â xi of the substituents and ¡â yi of the molecular structure change according to temperature change are derived from the ¡â I/¡É of reference compounds and series of homologues. The ¡â xi equation of the `f'th substituent is ¡â xf = ¡â I/¡É + ¥Ò¡â xi + ¥Ò¡â yi and ¡â yi equation of the `f'th molecular structure group is ¡â yi = ¡â I/¡É + ¥Ò¡â xi + ¥Ò¡â yi. The predicted ¡â I/¡É for these compounds were in agreement, within the error of ¡¾18% and 17%, with the observed values that were obtained using the OV-1701 and OV-1 capillary column, respectively.
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