METHOD OF PREDICTING GAS-CHROMATOGRAPHIC RETENTION INDICES OF O-ALKYLALKYLFLUOROPHOSPHONATE COMPOUNDS Russian patent published in 2015 - IPC G01N30/86 

FIELD: chemistry.

SUBSTANCE: method includes transforming a compound with an asymmetrical structure into two compounds with a symmetrical structure relative to a selected centre of symmetry and determining the retention index as the half sum of retention indices of compounds with a symmetrical structure, characterised by that the centre of symmetry of an O-alkylalkylfluorophosphonate compound is the carbon atom in the O-alkyl radical at the branching of which two different alkyl fragments or an alkyl fragment and a hydrogen atom are located; further, the method includes structural transformation of the compound into two compounds of the same class of O-alkylalkylfluorophosphonates with a symmetrical structure relative to the selected carbon atom using only said fragments and without structural change of the rest of the molecule.

EFFECT: novel method of predicting gas-chromatographic indices with improved reliability and objectivity.

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