CALCULATION OF ABRAHAM MODEL L-DESCRIPTOR AND STANDARD MOLAR ENTHALPIES OF VAPORIZATION AND SUBLIMATION FOR C9 - C26 MONO-ALKYL ALKANES AND POLYMETHYL ALKANES
Priya Tirumala, Jennifer Huang, Shrika Eddula, Carina Jiang, Angelina Xu, Grace Liu, William E. Acree Jr, Michael H. Abraham.
Abstract
Abraham model L solute descriptors have been determined for 127 additional mono-alkyl alkanes and polymethyl alkanes based on published gas chromatographic retention indices for solutes eluted from a fused-silica capillary column coated with a cross-lined methyl silicone stationary phase. Standard molar enthalpies of vaporization and sublimation at 298 K are calculated for the 127 mono-alkyl alkanes and polymethyl 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.
Key words: Abraham model; solute descriptors; enthalpy of vaporization; enthalpy of sublimation; Kovats retention indices.
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