Calculation of Abraham model L-descriptor and standard molar enthalpies of vaporization for linear C7-C14 alkynes from gas chromatographic retention index data
European Chemical Bulletin
Abraham model L solute descriptors have been determined for an additional 33 linear C7-C14 alkynes based on published gas chromatographic retention indices for solutes eluted from capillary columns coated with squalane and apiezon L stationary phases. Standard molar enthalpies of vaporization and sublimation at 298 K are calculated for the 33 linear alkynes using the reported solute descriptors and our recently published Abraham model correlations. Calculated vaporization enthalpies derived
... the Abraham model compare very favourably with values based on a popular atom-group additivity model. * Corresponding Authors Fax: (940) 565-3543 E-Mail: email@example.com [a] Unlike strictly empirical predictive methods the Abraham model is grounded on a firm understanding of molecular interactions. Each term on the right-hand side of eqns. 1 and 2 represents a different type of solute-solvent interaction that governs solute transfer between two condensed phases, eqn. (1), or solute transfer from the gas phase to a condensed phase, eqn. (2). Molecular interactions are quantified in the Abraham model as the product of a solute descriptor times the complementary condensed phase/solvent property (cp, ep, sp, ap, bp, vp, ck, ek, sk, ak, bk, and lk). Solute descriptors are identified by the uppercase alphabetic characters in eqns. (1) and (2) , and are defined as follows: E corresponds to the Evaporation enthalpies of alkynes from GC retention indexes Section E-Research paper Eur.