Solubility of <i>2</i>-Naphthol in Organic Nonelectrolyte Solvents. Comparison of Observed Versus Predicted Values Based Upon Mobile Order and Regular Solution Theories

Azizian, Saeid; Pour, Afshin Haydar

doi:10.3184/030823403103174542

Cited by 3 publications

(3 citation statements)

References 26 publications

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“…For solubility in dry chlorobenzene, data were available on the rare gases, 23,[35][36][37] and quite a large number of other solutes, [38][39][40][41][42][43][44][45][46][47][48][49][50][51][52][53][54] see Table S2 (ESIw), and another set of 11 values could be obtained from solubilities in dry chlorobenzene and water, [55][56][57][58][59][60][61][62][63] see also Table S2 (ESIw), making a total of 80 compounds. The equations for log K s and log P s in dry chlorobenzene are given as eqn ( 7) and ( 8).…”

Section: Chlorobenzenementioning

confidence: 99%

“…Data were available for solubility of 43 gases into dry bromobenzene, 23,28,[36][37][38]41,42,46,50,51,53,68,69 and for the solubility of 2-naphthol, 59 4-nitrobenzyl chloride, 70 anthracene 71 and pyrene 71 into dry bromobenzene, giving a total of 47 compounds as shown in Table S3 (ESIw). Application of eqn (1) then yielded 47 values of log K s and log P s for transfer from the gas phase and from water to dry bromobenzene.…”

Section: Bromobenzenementioning

confidence: 99%

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Partition of compounds from water and from air into the wet and dry monohalobenzenes

Abraham

Acree

Leo³

et al. 2009

New J. Chem.

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Values of the partition coefficient from the gas phase (K s ) and from water (P s ) to the monohalobenzene solvents have been collected for fluorobenzene (21 solutes), chlorobenzene (212 solutes), bromobenzene (126 solutes) and iodobenzene (65 solutes). It is shown that for the wide range of solutes studied, partitions into the dry and wet (water-saturated) solvents are essentially the same, and that equations can be constructed that include data on both dry and wet solvents. Using the Abraham equations, that contain a maximum of five descriptors, statistically satisfactory equations are obtained for log K s and log P s with estimated predictive standard deviations of around 0.20 log units. The coefficients in the Abraham equations for the four halobenzene solvents are surprisingly similar and except for the s-coefficient, which reflects the solvent dipolarity/polarisability, are also similar to the coefficients for partition into toluene.

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Section: Chlorobenzenementioning

confidence: 99%

Section: Bromobenzenementioning

confidence: 99%

Partition of compounds from water and from air into the wet and dry monohalobenzenes

Abraham

Acree

Leo³

et al. 2009

New J. Chem.

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“…a The solubilities in the individual solvents are included in the total number of experimental points. b The solubility of naphthol in acetone was taken from reference (28). the accuracy of any prediction "cannot exceed the accuracy of the experimental data" (30).…”

Section: Experimental Datamentioning

confidence: 99%

Solubility of Hydrophobic Organic Pollutants in Binary and Multicomponent Aqueous Solvents

Ruckenstein

Shulgin

2005

Environ. Sci. Technol.

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The present paper deals with the application of fluctuation theory of solutions to the solubility of poorly soluble substances of environmental significance in aqueous mixed solvents. The fluctuation theory of ternary solutions was first used to derive an expression for the activity coefficient of a solute at infinite dilution in a binary mixed solvent. This equation contains the activity coefficients of the constituents of the solute-free mixed solvent and the molar volume of the solute-free mixed solvent. Further, the derived expression for the activity coefficient of a solute at infinite dilution was used to generate a number of expressions for the solubility of solids in aqueous mixed solvents. Several expressions for the activity coefficients of the components were considered: first, the mixed solvent was considered an ideal mixture; second, the activity coefficients of the constituents of the binary solvent were expressed using the two-suffix Margules equations; third, the activity coefficients of the constituents of the binary solvent were expressed using the Wilson equations. The obtained expressions were applied to 25 experimental data sets pertaining to the solubilities of hydrophobic organic pollutants (HOP) in aqueous mixed solvents. It was found that the suggested equations can be used for an accurate and reliable correlation of the solubilities in aqueous mixed binary solvents. The best results were obtained by combining our expression for the activity coefficient of a solute at infinite dilution in a mixed solvent with the Wilson equations for the activity coefficients of the constituents of a solute-free mixed solvent. The derived equations can also be used for predicting the solubilities of poorly soluble environmentally important compounds in aqueous mixed solvents using for the Wilson parameters those obtained from vapor-liquid equilibrium data. A similar methodology was applied to the solubility of poorly soluble substances of environmental significance in multicomponent (ternary and higher) aqueous mixed solvents. The expression for the activity coefficient of a solute in an ideal multicomponent mixed solvent was used to derive an equation for the solubility of a poorly soluble solute in an ideal multicomponent mixed solvent in terms of its solubilities in two subsystems of the multicomponent solvent and their molar volumes. Ultimately the solubility could be expressed in terms of those in binary or even in the individual constituents of the solvent and their molar volumes. The computational method was applied to predict the solubilities of naphthalene and anthracene in ternary, quaternary and quinary aqueous mixed solvents. The results were compared with experiment and good agreement was obtained.

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

Sprunger

Achi

Acree

et al. 2009

Fluid Phase Equilibria

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Data have been compiled from the published literature on the partition coefficients of solutes and vapors into chloroform, carbon tetrachloride, dichloromethane and 1-chlorobutane from both water and from the gas phase. The logarithms of the water-to-chloroalkane (log P) and gas-tochloroalkane partition coefficients (log K) are correlated with the Abraham solvation parameter model. The derived correlations describe the observed log P and log K values within standard deviations of about 0.13 to 0.20 log units. For chloroform and carbon tetrachloride, the derived correlations were validated using training set and test set analyses.

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Solubility of 2-Naphthol in Organic Nonelectrolyte Solvents. Comparison of Observed Versus Predicted Values Based Upon Mobile Order and Regular Solution Theories

Abstract: Experimental solubilities are reported at 25.0 o C for 2-naphthol in several different organic nonelectrolyte solvents; results of these measurements are compared with the solubility equations derived from mobile order and regular solution theories.

Cited by 3 publications

References 26 publications

Partition of compounds from water and from air into the wet and dry monohalobenzenes

Partition of compounds from water and from air into the wet and dry monohalobenzenes

Solubility of Hydrophobic Organic Pollutants in Binary and Multicomponent Aqueous Solvents

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

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