Correlation and prediction of the solubility of Buckminster- fullerene in organic solvents; estimation of some physicochemical properties.
Journal of the Chemical Society, Perkin Transactions 2
281 - 286.
The solubilities of Buckminsterfullerene, C-60, in 20 organic solvents have been transformed into water-solvent partition coefficients and the latter, as log P values, analysed by the Abraham solvation equation. Our analysis indicates that a water solubility of 10(-18) mol dm(-3) is the optimum value. The solubilities can be transformed into air-solvent partitions, L, using optimum values of the saturated vapour concentration, 10(-24) mol dm(-3), and the air-water partition coefficient, 10(-6). A total of 41 log P and log L values were thus processed to obtain the Abraham solvation descriptors for C-60. It is shown that C-60 is dipolar/polarisable, has no hydrogen bond acidity, but is a slightly stronger hydrogen bond base than compounds such as acetophenone. The descriptors indicate that C-60 behaves rather like a polyalkene rather than an aromatic system. Various properties of C-60 can be predicted from the solvation descriptors; C-60 is very lipophilic, is distributed between blood and brain largely into the brain, and is taken up by plant matrices from the air or from water almost quantitatively
|Title:||Correlation and prediction of the solubility of Buckminster- fullerene in organic solvents; estimation of some physicochemical properties|
|Additional information:||Journal Article 279PN Abraham MH Univ Coll London, Dept Chem, 20 Gordon St, London WC1H 0AJ, England J CHEM SOC PERKIN TRANS 2|
|Keywords:||ALCOHOLS, ALKANES, analysis, As, Blood, BOND, Brain, C-60 DERIVATIVES, CARBON- TETRACHLORIDE, COEFFICIENTS, DESCRIPTORS, EQUATION, FULLERENE, Hydrogen, HYDROGEN-BOND, LOG-P, matrices, OCTANOL, PARTIAL MOLAL VOLUMES, PARTITION, partition coefficient, PARTITION-COEFFICIENTS, PREDICTION, SOLUBILITY, SOLUTE, SOLVATION, solvation descriptors, Solvents, SYSTEM, TOLUENE, VALUES, Water, WATER PARTITION|
|UCL classification:||UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry|
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