Solubility of Crystalline Nonelectrolyte Solutes in Organic Solvents: Mathematical Correlation of Benzil Solubilities with the Abraham General Solvation Model

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Article on the solubility of crystalline nonelectrolyte solutes in organic solvents and the mathematical correlation of benzil solubilities with the Abraham general solvation model.

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11 p.

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Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.) April 1, 2002.

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Article on the solubility of crystalline nonelectrolyte solutes in organic solvents and the mathematical correlation of benzil solubilities with the Abraham general solvation model.

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11 p.

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Abstract: The Abraham general solvation model is used to calculate the numerical values of the solute descriptors for benzil from experimental solubilities in organic solvents. The mathematical correlations take the form: log(CS/CW)=c+r⋅R2+s⋅πH2+a⋅∑αH2+b⋅∑βH2+v⋅Vx and log(CS/CG)=c+r⋅R2+s⋅πH2+a⋅∑αH2+b⋅∑βH2+l⋅logL[16], where C S and C W refer to the solute solubility in the organic solvent and water, respectively, C G is a gas-phase concentration, C 2 is the solute excess molar refraction, V x is the McGowan volume of the solute, ∑αH2 and ∑βH2 are measures of the solute hydrogen-bond acidity and basicity, πH2 denotes the solute dipolarity/polarizability descriptor, and L [16] is the solute gas-phase dimensionless Ostwald partition coefficient into hexadecane at 25°C. 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. We estimate R 2 as 14.45 cm3-mol−1 and calculate V x as 163.74 cm3-mol−1, and then solve a total of 51 equations to yield πH2 = 1.59, ∑βH2 = 0.620 and log L [16] = 7.6112. These descriptors reproduce the 51 observed log(C S/C W) and log(C S/C G) values with a standard deviation of only 0.115 log units.

© 2002 Plenum Publishing Corporation.

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  • Journal of Solution Chemistry, 2002, New York: Plenum Press, pp. 293-303

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  • Publication Title: Journal of Solution Chemistry
  • Volume: 31
  • Issue: 4
  • Page Start: 293
  • Page End: 303
  • Pages: 11
  • Peer Reviewed: Yes

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  • April 1, 2002

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  • July 9, 2015, 6:19 a.m.

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Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.). Solubility of Crystalline Nonelectrolyte Solutes in Organic Solvents: Mathematical Correlation of Benzil Solubilities with the Abraham General Solvation Model, article, April 1, 2002; [New York, New York]. (digital.library.unt.edu/ark:/67531/metadc674081/: accessed October 19, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.