Solubility of hexachlorobenzene in organic nonelectrolyte solvents. Comparison of observed vs. predicted values based upon Mobile Order model

Abstract

Experimental solubilities are reported at 25.0°C for hexachlorobenzene dissolved in 42 different organic nonelectrolyte solvents containing ether-, chloro-, hydroxy-, ester, methyl-, and tert-butyl-functional groups. Results of these measurements are used to test the applications and limitations of expressions derived from Mobile Order model. For the 33 solvents for which predictions could be made computations show that Mobile Order model does provide fairly reasonable estimates of the saturation mole fraction solubilities. Average absolute deviation between predicted and observed values is 210%. In comparison, the average absolute deviation is 2 060% when ideal solution behavior is assumed.Résumé : Opérant à 25,0°C, on a mesuré les solubilités expérimentales de l'hexachlorobenzène en solution dans quarante-deux solvants organiques non électrolytiques qui comprennent des groupes substituants éther, chloro, hydroxyle, ester, méthyle et tert-butyle. On a utilisé les résultats de ces mesures pour vérifier les applications et les limitations d'expressions dérivées du modèle de l'ordre mobile. Les trente-trois solvants pour lesquels il a été possible de faire des calculs montrent que le modèle de l'ordre mobile conduit à des évaluations assez raisonnables des solubilités en fraction molaire de la saturation. La déviation absolue moyenne entre les valeurs prévues et observées est de 210%. Pour fins de comparaison, la déviation absolue moyenne est de 2 060% lorsqu'on fait l'hypothèse que le comportement de la solution est idéal.Mots clés : solubilités de l'hexachlorobenzène, solvants organiques non électrolytiques, prévisions des solubilités. De Fina et al. 463

Revision of MOSCED Parameters and Extension to Solid Solubility Calculations

“…1 γ 55 for which MOSCED parameters were available were used to regress parameters. The best-fit parameters result in a 26% AAE (see Figure 3).…”

“…These new parameters predict for the whole 37 point data set with a slight increase in absolute error to 26.3% and no increase in the number or magnitude of outliers. The solubilities of hexachlorobenzene (T m ) 501.7 K, H fus ) 6099.4 cal/mol) in 30 solvents 55 for which MOSCED parameters were available were used to regress parameters. The best-fit parameters result in a 26% AAE (see Figure 3).…”

Physiochemical technologies for HCB remediation and disposal: A review

“…Cosolvents can also increase the apparent solubility of hydrophobic contaminants at high concentrations, i.e., >5%. Solubilities of HCB in a wide variety of organic nonelectrolyte solvents were summarized in literature [50]. Compared with surfactants, much less work has involved the enhanced washing of HCB by CDs and cosolvents.…”

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

“…4,5 The mobile order theory is at the basis of a new thermodynamic treatment of the liquid state, the quantitative development of which led to equations describing the effect of solvents−solvent, solute−solute and solute−solvent interactions on the chemical potential of solute. [6][7][8][9][10][11][12][13][14][15][16][17][18][19][20] In the present communication, we report 2-naphthol solubilities in several different organic solvents at 25.0±0.1 o C. Results of the measurements are used to further test the applications and limitations of predictive expressions derived from the mobile order model.…”