Prediction of gas chromatographic retention times of esters of long chain alcohols and fatty acids.

The linear free energy of solution (DeltaG) relationship (DeltaG=DeltaGo+zdeltaG) for compounds of different carbon atoms (z) in the same homologous series is expanded and modified to cover compounds with two different hydrocarbon side chains. The expanded equation is successfully used to predict the retention times (tR) of standard esters of long chain alcohols and fatty acids of different chain lengths in both isothermal and temperature-programmed gas chromatography (TPGC). Approximately 90% of the 125 predicted tR values have a difference of less than 1.