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ABRAHAM SOLVATION PARAMETER MODEL: PREDICTION OF ENTHALPIES OF VAPORIZATION AND SUBLIMATION OF MONO-METHYL BRANCHED ALKANES USING MEASURED GAS CHROMATOGRAPHIC DATA

ABRAHAM SOLVATION PARAMETER MODEL: PREDICTION OF ENTHALPIES OF VAPORIZATION AND SUBLIMATION OF MONO-METHYL BRANCHED ALKANES USING MEASURED GAS CHROMATOGRAPHIC DATA

Author: Grace Liu[a], Shrika Eddula, Carina Jiang, Jennifer Huang, Priya Tirumala, Angelina Xu, William E. Acree Jr, Michael H. Abraham
Abstract

Abraham model L solute descriptors have been determined for 174 additional mono-methyl branched alkanes based on published linear-programmed gas chromatographic retention indices. Standard molar enthalpies of vaporization and sublimation at 298 K are calculated for the 174 mono-methylated alkanes using the reported solute descriptors and our recently published Abraham model correlations. Calculated vaporization and sublimation enthalpies derived from the Abraham model compare very favourably with values based on a popular atom-group additivity model. Unlike the additivity model the Abraham model gives different predicted values for each mono-methyl alkane having a given CnH2n+2 molecular formula.

Keywords: Chromatographic retention indices; Abraham model; solute descriptors; enthalpy of vaporization; enthalpy of sublimation.

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