SOLUBILITY BEHAVIOR OF CRYSTALLINE POLYCYCLIC AROMATIC HYDROCARBONS (PAHs): PREDICTION OF FLUORENE SOLUBILITIES IN ORGANIC SOLVENTS WITH THE ABRAHAM SOLVATION PARAMETER MODEL
| Autor: | Dawn M. Stovall, Kaci R. Hoover, William E. Acree, Michael H. Abraham |
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| Rok vydání: | 2005 |
| Předmět: |
Quantitative Biology::Biomolecules
Polymers and Plastics Organic Chemistry Solvation Thermodynamics Hexadecane Fluorene Solvent Partition coefficient chemistry.chemical_compound chemistry Volume (thermodynamics) Polarizability Materials Chemistry Organic chemistry Physics::Chemical Physics Solubility |
| Zdroj: | Polycyclic Aromatic Compounds. 25:313-326 |
| ISSN: | 1563-5333 1040-6638 |
| DOI: | 10.1080/10406630500227247 |
| Popis: | The Abraham solvation parameter model is used to predict the experimental solubilities of fluorene in organic solvents, from the correlation equations, below, and already determined descriptors for fluorene. The mathematical correlations take the form of 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, E is the solute excess molar refraction, V is McGowan volume of the solute, A and B are measures of the solute hydrogen-bond acidity and hydrogen-bond basicity, S denotes the solute dipolarity/polarizability descriptor, and L is the logarithm of 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 solvation parameter model was found to predict the experimental solubility data and published gas chromatog... |
| Databáze: | OpenAIRE |
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