Solubility of diphenyl sulfone in organic nonelectrolyte solvents. Comparison of observed versus predicted values based upon the general solvation model

1999 ◽  
Vol 77 (7) ◽  
pp. 1214-1217 ◽  
Author(s):  
Kristin A Fletcher ◽  
Carmen E Hernández ◽  
Lindsay E Roy ◽  
Karen S Coym ◽  
William E Acree, Jr.
Keyword(s):  
Organic Solvent ◽  
Organic Solvents ◽  
Predictive Ability ◽  
Molar Refraction ◽  
Solvation Model ◽  
Absolute Deviation ◽  
Diphenyl Sulfone ◽  
Solubility Behavior ◽  
Aqueous Solvent ◽  
Equilibrium Data

Experimental solubilities are reported for diphenyl sulfone dissolved in 8 alkane, 10 alcohol, and in aqueous solvent media at 25°C. Results of these measurements are used to test the predictive ability of the general solvation model log CA,orgsat/CA,aqsat = c + rR2 + sπ2H + aΣα2H + bΣβ2H + vVxwhere CA,orgsat and CA,aqsat refer to the solute solubility in the organic solvent and in water, respectively, R2 is the solute's excess molar refraction, Vx is the McGowan characteristic volume of the solute, π2H denotes the solute's dipolarity/ polarizability, and Σα2H and Σβ2H are the overall hydrogen-bond acidity and basicity descriptors for the solute. The remaining symbols in the above expression are known solvent coefficients, which have been determined previously through regressional analysis of published organic solvent - water partition coefficient and vapor-liquid equilibrium data. Computations show that the general solvation model predicts the solubility behavior of diphenyl sulfone in the 11 organic solvents for which predictions could be made to within an overall average absolute deviation of about ±20%. Key words: diphenyl sulfone solubilities, organic solvents, solubility predictions, general solvation model.

Solubility predictions for crystalline nonelectrolyte solutes dissolved in organic solvents based upon the Abraham general solvation model

2001 ◽  
Vol 79 (10) ◽  
pp. 1466-1476 ◽  
Author(s):  
William E Acree, Jr. ◽  
Michael H Abraham
Keyword(s):  
Hydrogen Bond ◽  
Gas Phase ◽  
Organic Solvents ◽  
Molar Refraction ◽  
Solvation Model ◽  
Absolute Deviation ◽  
Solubility Behavior ◽  
Water Solvent ◽  
Solubility Predictions ◽  
Hydrogen Bond Acidity

The Abraham general solvation model is used to predict the saturation solubility of crystalline nonelectrolyte solutes in organic solvents. The derived equations take the form of log (CS/CW) = c + rR2 + sπ2H + aΣα2H + bΣβ2H + vVx and log (CS/CG) = c + rR2 + sπ2H + aΣα2H + bΣβ2H + l log L(16) where CS and CW refer to the solute solubility in the organic solvent and water, respectively, CG is a gas-phase concentration, R2 is the solute's excess molar refraction, Vx is McGowan volume of the solute, Σα2H and Σβ2H are measures of the solute's hydrogen-bond acidity and hydrogen-bond basicity, π2H denotes the solute's dipolarity and (or) polarizability descriptor, and log L(16) is the solute's gas-phase dimensionless Ostwald partition coefficient into hexadecane at 298 K. The remaining symbols in the above expressions are known equation coefficients, which have been determined previously for a large number of gas–solvent and water–solvent systems. Computations show that the Abraham general solvation model predicts the observed solubility behavior of anthracene, phenanthrene, and hexachlorobenzene to within an average absolute deviation of about ±35%.Key words: solubility predictions, organic solvents, nonelectrolyte solutes, partition coefficients.

Thermochemical behavior of dissolved carboxylic acid solutes: Solubilities of 3-methylbenzoic acid and 4-chlorobenzoic acid in organic solvents

2003 ◽  
Vol 81 (12) ◽  
pp. 1492-1501 ◽  
Author(s):  
Charlisa R Daniels ◽  
Amanda K Charlton ◽  
Rhiannon M Wold ◽  
William E Acree, Jr. ◽  
Michael H Abraham
Keyword(s):  
Hydrogen Bond ◽  
Gas Phase ◽  
Molar Refraction ◽  
Solvation Model ◽  
Chlorobenzoic Acid ◽  
Solubility Behavior ◽  
Water Solvent ◽  
Experimental Solubility Data ◽  
Hydrogen Bond Acidity ◽  
Alcohol Solvents

The Abraham general solvation model is used to correlate the solubility behavior of 3-methylbenzoic acid and 4-chlorobenzoic acid in alcohol and ether solvents. The mathematical correlations take the form of [Formula: see text] [Formula: see text] where CS and CW refer to the solute solubility in the organic solvent and water, respectively; CG is a gas-phase concentration; R2 is the solute excess molar refraction; Vx is the McGowan volume of the solute; ΣαH2 and ΣβH2 are measures of the solute hydrogen-bond acidity and hydrogen-bond basicity; πH2 denotes the solute dipolarity–polarizability descriptor; and L(16) is the solute gas-phase dimensionless Ostwald partition coefficient into hexadecane at 298 K. The remaining symbols in the above expressions are known solvent coefficients, which have been determined previously for a large number of gas–solvent and water–solvent systems. The Abraham general solvation model was found to describe the experimental solubility data and published literature partitioning data of 3-methylbenzoic acid and 4-chlorobenzoic acid to within overall standard deviations of 0.079 log units and 0.085 log units, respectively. Key words: 3-methylbenzoic acid solubilities, 4-chlorobenzoic acid solubilities, alcohol solvents, partition coefficients, molecular solute descriptors, solubility predictions.

scholarly journals Effects of Organic Solvent on Curing Behavior and Storage Stability for Waterborne Paint Containing Catalyst Encapsulated in Micelles

Coatings ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 722
Author(s):  
Shuji Yomo
Keyword(s):  
Organic Solvent ◽  
Organic Solvents ◽  
Storage Stability ◽  
Dibutyltin Dilaurate ◽  
Film Properties ◽  
Surfactant Micelles ◽  
Catalytic Function ◽  
Hydrophilic Lipophilic Balance ◽  
Before And After ◽  
And Storage

In this study, a 2-pack isocyanate curing waterborne paint (without organic solvents) encapsulating dibutyltin dilaurate (hereinafter, DBTL) in nonionic surfactant micelles with an hydrophilic–lipophilic balance of 13–14 in advance releases DBTL when the micelles are collapsed at 80 °C or higher, whereby the curing progresses rapidly. On the other hand, the viscosity levels of the paint before and after being left at 40 °C for 1 h are almost the same. Organic solvents are mandatory for waterborne paints to provide paint and film properties, but they might collapse the micelles when they are formulated in the paint. In this study, we investigate whether the abovementioned paint containing organic solvents can develop switching functionality in terms of maintaining the storage stability at 40 °C and expressing a catalytic function at 80 °C to progress the curing. As a result, we find that if the solubility of the organic solvent in water at 20 °C is at least 10 g/100 mL and the boiling point is ≤200 °C, both curing and storage stability can be achieved.

Effects of organic solvents on immobilized enzyme catalyses. Chymotrypsin immobilized on porous glass

1981 ◽  
Vol 59 (19) ◽  
pp. 2921-2925 ◽  
Author(s):  
J. Bryan Jones ◽  
Diana H. Pliura
Keyword(s):  
Organic Solvent ◽  
Organic Solvents ◽  
Porous Glass ◽  
Immobilized Enzyme ◽  
Butyl Alcohol ◽  
Solvent Concentration ◽  
Marked Contrast ◽  
Practical Applications ◽  
Tert Butyl Alcohol ◽  
Esterolytic Activity

The esterolytic activity of native chymotrypsin (CT) immobilized on ionically neutral porous glass beads has been studied in the presence of up to 20% (v/v) of the organic solvents methanol, ethanol, 2-propanol, tert-butyl alcohol, dioxane, and DMSO. In marked contrast to the variations observed with native CT, inhibition of CT immobilized on glass (CT–glass) was independent of the nature of the organic solvent. The overall activity, as indicated by kc(app)/km(app), decreased by 35–50% as the concentration of all solvents surveyed was increased up to 20%. In general, high organic solvent concentration accelerated the rate of protein release from the insoluble catalyst. For practical applications in aqueous organic solvents CT–glass conjugates are inferior to those of the enzyme attached to Sephadex.

scholarly journals Diverse resourcing of Nerium indicum leaves for bio-utilization

2020 ◽  
Vol 24 (3 Part A) ◽  
pp. 1785-1793
Author(s):  
Dongli Ma ◽  
Yuanyuan Chen ◽  
Yong Lai ◽  
Zanpei Zhang ◽  
Ximei Li ◽  
...  
Keyword(s):  
Organic Solvent ◽  
Organic Solvents ◽  
Raw Materials ◽  
Chemical Constituents ◽  
Food Additives ◽  
Ornamental Plant ◽  
Bioactive Ingredients ◽  
Ft Ir ◽  
Medicinal Properties ◽  
Alcohol Benzene

Nerium indicum is an ornamental plant that is widely distributed in tropical and subtropical regions wordwide. It has toxic and medicinal properties which is closely related to the bioactive ingredients contained in Nerium indicum. In our research, the leaves of Nerium indicum was used as raw materials to study the chemical constituents and their effects. The chemical constituents of the leaves were analyzed by FT-IR and GC-MS with alcohol, benzene and acetone as organic solvents. A total of 73 compounds were obtained by acetone organic solvent, 25 compounds were extracted from benzene and 146 compounds were obtained from alcohol. Rich bioactive and bioenergy components were found in all three kinds of extract, suggesting that Nerium indicum leaves are of great significance for the diverse resourcing of bio-utilization including biomedicine, bioenergy, aroma, food additives.

The wormlike micelles formed using an ionic liquid surfactant and polar organic solvents at low temperature without additives and their lubricant properties

Soft Matter ◽  
2021 ◽  
Author(s):  
Huijiao Cao ◽  
Wenlin Xu ◽  
Xia Guo
Keyword(s):  
Ionic Liquid ◽  
Low Temperature ◽  
Organic Solvent ◽  
Organic Solvents ◽  
Wormlike Micelles ◽  
Polar Organic Solvents ◽  
Ionic Liquid Surfactant ◽  
Nonpolar Organic

Wormlike micelles (or reverse wormlike micelles) are flexible cylindrical chains that are normally formed in water (or a nonpolar organic solvent) at 25.0 °C or above; the formation of wormlike micelles at lower temperatures is rare.

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