Calculation of Abraham model L-descriptor and standard molar enthalpies of vaporization for linear C7-C14 alkynes from gas chromatographic retention index data

Neel Shanmugam, Shrika Eddula, William E. Acree, Michael H. Abraham
2021 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
more » ... the Abraham model compare very favourably with values based on a popular atom-group additivity model. * Corresponding Authors Fax: (940) 565-3543 E-Mail: [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.
doi:10.17628/ecb.2021.10.46-57 fatcat:7jx7pwxnj5hl7nfqdqofsaqpce