Illustration of the calculation of solute descriptors for maltol from published solubility data

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

“…(1) and (2) denote the complementary properties of the solute transfer process, and their numerical values are determined through regression analysis of experimental partition coefficient data, molar solubility ratios, gas chromatographic retention factors and retention indices, and other measured solute properties as illustrated in earlier publications. [28][29][30][31][46][47][48] Readers are referred to several review articles [49][50][51][52] for a more detailed discussion of the Abraham model and its predictive applications.…”

“…The model has been shown to provide reasonably accurate predictions for a wide range of solute transfer processes. Specific solute properties, SP, for which predictive expressions have been reported include: the logarithms of the water-to-organic solvent and gas-to-organic solvent partition coefficients, log P and log K, [1][2][3][4][5][6][7] logarithms of blood-to-body tissue/fluid partition coefficients, log Pblood/tissue, [8][9][10][11][12] logarithms of the median lethal concentration of various organic compounds to aquatic organisms, log LC50, [13][14][15][16] enthalpies of solvation of organic vapors and inorganic gases in organic solvents, ∆Hsolv, [17][18][19][20][21][22][23][24][25][26][27] logarithms of molar solubility ratios, [28][29][30][31] isothermal gas chromatographic retention factors and retention indices, RI, Draize eye scores and eye irritation thresholds, [32][33][34] nasal pungency, 32,[35][36][37] skin permeabilities, 38,39 and several other biological response solute properties. 40,41 More recently, the model was successfully extended to the p...…”