No abstract

Experimental solubilities are reported for anthracene dissolved in ternary methyl tert-butyl ether + 1-propanol + 2,2,4-trimethylpentane, methyl tert-butyl ether + 2-propanol + 2,2,4-trimethylpentane, methyl tert-butyl ether + 1-butanol + 2,2,4-trimethylpentane, methyl tert-butyl ether + 2-butanol + 2,2,4-trimethylpentane, and methyl tert-butyl ether + 2-methyl-1-propanol + 2,2,4-trimethylpentane solvent mixtures at 25°C and atmospheric pressure. Nineteen compositions were studied for each of the five solvent systems. Results of these measurements are used to test the predictive ability of the ternary solvent form of the combined NIMS/Redlich-Kister equation. Computations showed that the model predicted the observed solubility behavior to within an overall average absolute deviation of about 1.7%, which is comparable to the experimental uncertainty of (1.5%.

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.Key words: pesticide, diuron solubilities, organic nonelectrolyte solvents, solubility predictions.

Experimental solubilities are reported for anthracene dissolved in ternary dibutyl ether + 1-propanol + 2,2,4-trimethylpentane, dibutyl ether + 2-propanol + 2,2,4-trimethylpentane, dibutyl ether + 1-butanol + 2,2,4-trimethylpentane, dibutyl ether + 2-butanol + 2,2,4-trimethylpentane, and dibutyl ether + 2-methyl-1-propanol + 2,2,4-trimethylpentane solvent mixtures at 25°C and atmospheric pressure. Nineteen compositions were studied for each of the five solvent systems. Results of these measurements are used to test the predictive ability of the ternary solvent form of the combined nearly ideal multiple solvent/Redlich-Kister equation. Computations showed that the model predicted the observed solubility behavior to within an overall average absolute deviation of about 1.4%, which is comparable to the experimental uncertainty of (1.5%. IntroductionSolid-liquid equilibrium data of organic nonelectrolyte systems are becoming increasingly important in the petroleum industry, particularly in light of present trends toward heavier feedstocks and the known carcinogenicity/ mutagenicity of many of the larger polycyclic aromatic compounds. Solubility data for a number of polycyclic aromatic hydrocarbons (i.e., anthracene and pyrene) and heteroatom polynuclear aromatics (i.e., carbazole, dibenzothiophene, and xanthene) have been published in the recent chemical literature. For a listing of references, see Acree ( , 1995a. Despite efforts by experimentalists and scientific organizations, in terms of both new experimental measurements and critically evaluated data compilations, there still exist numerous systems for which solubility data are not readily available.To address this problem, researchers have turned to group contribution methods and semiempirical equations to predict desired quantities from either pure component properties or measured binary data. In earlier studies we have used the binary solvent reduction of a predictive expression derived from a combined two-and three-body interactional mixing model as a mathematical representation for describing how the measured isothermal solubility of a crystalline solute varies with binary solvent composition. The binary reduction, referred to as the combined nearly ideal binary solvent (NIBS)/Redlich-Kister equation, was found to accurately describe the observed solubility behavior in a large number of different binary solvent systems. We recently extended our solubility studies to ternary two alkane + alcohol (Deng and Acree, 1998a; Deng et al., 1999a) and alkane + two alcohol (Deng and Acree, 1998b;Deng et al., 1998Deng et al., , 1999b) solvent mixtures. Such systems exhibit hydrogen-bond formation, and the measured solubility data will be used in future studies to test expressions derived from both the Kretschmer-Wiebe association model and mobile order theory. Deviations from ideality arise from the self-association of each alcohol cosolvent and, in mixtures containing two alcohol cosolvents, from the formation of heterogeneous hydrogenbonded chains between dissimila...

No abstract