Correlation and prediction of partition coefficients for solute transfer to 1,2-dichloroethane from both water and from the gas phase

Electrochemical properties of gold nanoparticles assembly at polarised liquid|liquid interfaces

“…However, the partition coefficient of methanol between 1,2-dichloroethane and water, equal to 0.0623 at 25°C [19], implies that methanol has little effect on the composition of the organic phase. Furthermore, the variation in the relative permittivity of the aqueous phase is negligible for a 10% volume ratio of methanol in water [20].…”

Correlation and prediction of solute transfer to chloroalkanes from both water and the gas phase

“…(11) Log P = log K -log K w (11) In equations 9 -11 R is the universal gas constant, T is the system temperature, P solute o is the vapor pressure of the solute at T, and V solvent is the molar volume of the solvent. The calculation of log P requires knowledge of the solute's gas phase partition coefficient into water, K w , which is available for most of the solutes being studied.…”

“…At present we are developing/updating correlations for additional/existing systems [3][4][5][6][7][8][9][10][11][12][13], and are developing new computation methodologies for calculating solute descriptors from available experimental data and/or structural information [2,[14][15][16][17][18]. To date we have published Abraham model correlations for describing both the water-to-organic solvent partition coefficient (see Eqn.…”

Mathematical correlations for describing solute transfer into functionalized alkane solvents containing hydroxyl, ether, ester or ketone solvents

“…The calculation of log P requires log P = log K -log K w (9) knowledge of the solute's gas phase partition coefficient into water, K w , which is available for most of the solutes being studied.…”

“…Previous studies have documented that the basic model provides reasonably accurate mathematical descriptions for the transfer of organic solutes into both conventional organic solvents [1][2][3][4][5][6][7][8][9][10][11] and ionic liquid solvents [12,13] from water and from the gas phase, for the partitioning of drug molecules between blood and select body organs [14][15][16][17][18], and for estimating nasal pungency thresholds [19,20] and Draize scores and eye irritation thresholds [19,21] of compounds. Each of the predicted properties involves either direct or indirect solute partitioning processes.…”