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Solubility of the pesticide diuron in organic nonelectrolyte solvents. Comparison of observed vs. predicted values based upon Mobile Order theory

De Fina, KM; Sharp, TL; Spurgin, MA; Chuca, I; Acree, WE; Green, CE; Abraham, MH; (2000) Solubility of the pesticide diuron in organic nonelectrolyte solvents. Comparison of observed vs. predicted values based upon Mobile Order theory. Canadian Journal of Chemistry-Revue Canadienne de Chimie , 78 (2) 184 - 190.

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Abstract

Experimental solubilities are reported at 25.0%C for diuron (also called 3-(3,4-dichlorophenyl)-1,1-dimethyl urea) dissolved in 49 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 theory. For the 28 nonalcoholic solvents for which predictions could be made computations show that Mobile Order theory does provide fairly reasonable estimates of the saturation mole fraction solubilities. Average absolute deviation between predicted and observed values is 60.1%. Diuron solubilities in the alcohol solvents are used to calculate stability constants for presumed solute-solvent hydrogen bonds that are believed to occur in solution

Type:Article
Title:Solubility of the pesticide diuron in organic nonelectrolyte solvents. Comparison of observed vs. predicted values based upon Mobile Order theory
Additional information:Journal Article FEB 284JH Acree WE Univ N Texas, Dept Chem, Denton, TX 76203 USA CAN J CHEM
Keywords:Alcohol, ALCOHOLS, BOND, BONDS, comparison, CONSTANTS, DISORDER, diuron, diuron solubilities, experimental, expression, GROUP CONTRIBUTION MODEL, groups, HYDROCARBONS, Hydrogen, HYDROGEN-BOND, measurement, MIXTURES, NAPHTHALENE, organic nonelectrolyte solvents, pesticide, PREDICTION, PREDICTIONS, saturation, SOLUBILITY, solubility predictions, SOLUTES, Solvents, stability, SYSTEMS, Texas, THRESHOLDS, UNIFAC, USA, VALUES, VS
UCL classification:UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry

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