Models for Liquid–Liquid Partition in the System Ethanolamine-Organic Solvent and Their Use for Estimating Descriptors for Organic Compounds

Abraham model correlations for describing solute transfer into 2-butoxyethanol from both water and the gas phase at 298K

“…For several of the comparisons the author likely utilized solute parameters/properties rather than solvent parameters/properties because the required information was not readily available. This was particularly true in the case of the Abraham model as solvent parameters (called process or solvent equation coefficients) had been determined for about 300 water/organic solvent, air/organic solvent, and totally organic solvents biphasic partitioning systems [2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20]. Abraham model solvent equation coefficients were not available for solvents such as acetic acid, pyridine, propionitrile, diethyl phthalate, limonene, α-pinene, α-terpineol, glycerol and 1,3-propanediol.…”

Abraham model ion-specific equation coefficients for the 1-butyl-2,3-dimethyimidazolium and 4-cyano-1-butylpyridinium cations calculated from measured gas-to-liquid partition coefficient data

“…Numerical values of the solute descriptors in our database are of experimental origin and were based on observed solubility data and Henry's law constants, [75][76][77][78] on measured gas-liquid and high-performance liquid chromatographic retention times and retention factors, [79,80] and on experimental practical partition coefficient measurements for the equilibrium solute distribution between water and an immiscible (or partially miscible) organic solvent. [81][82][83] The numerical solute descriptors define a set of chemical Table 1. Measured logarithm of gas-to-IL partition coefficients, log K, and logarithm of water-to-IL partition coefficients, log The smaller ranges for the latter two IL solvents, particularly in the V and L solute descriptor ranges, results from the absence of inorganic and smaller organic gases in the data sets.…”