Partition Coefficients and Solubilities of Compounds in the Water–Ethanol Solvent System

Analysis of the solubility of betaine: calculation of descriptors and physicochemical properties

“…(3), and these are given in Table 3. The various equations refer to the partition between water and the dry solvent [16][17][18][19][20] or between water and a water-ethanol mixture [23,24]. Although such partitions are hypothetical, the corresponding equations are extremely useful in the analysis of solubilities [11].…”

Equations for the Partition of Neutral Molecules, Ions and Ionic Species from Water to Water–Ethanol Mixtures

“…For partition of non-electrolytes from water to water-ethanol mixtures, we constructed [11] Eqs. 2-11.…”

“…We define 'ionic species' as anions derived from neutral carboxylic acids or phenols by removal of a proton, and cations derived from amines by addition of a proton. We have also set out equations for the transfer of nonelectrolytes from water to water-ethanol mixtures [11], and in view of the interest in ions in water-ethanol mixtures, we wished to ascertain if it was possible to obtain equations for the transfer of non-electrolytes, ions and ionic species from water to water-ethanol mixtures. If so, then the coefficients in such equations might lead to additional insights into the nature of the water-ethanol mixtures.…”

Descriptors for ions and ion-pairs for use in linear free energy relationships

“…The coefficients c, e, s, a, b and v are the same as those for the equation for neutral compounds. Equations for the partition of neutral compounds from water to various water-ethanol mixtures have been determined by Abraham and Acree [64] and they were later able to obtain enough log P values for ions and ionic species to obtain the coefficients for the ionic equations in Table 5 [65].…”