Publication Details |
| Category | Text Publication |
| Reference Category | Journals |
| DOI | 10.1002/etc.5620180606 |
| Document | Shareable Link |
| Title (Primary) | Aqueous solubility, octanol solubility, and octanol/water partition coefficient of nine hydrophobic dyes |
| Author | Sijm, D.T.H.M.; Schüürmann, G.; de Vries, P.J.; Opperhuizen, A. |
| Journal | Environmental Toxicology and Chemistry |
| Year | 1999 |
| Department | OEC; COE |
| Volume | 18 |
| Issue | 6 |
| Page From | 1109 |
| Page To | 1117 |
| Language | englisch |
| Keywords | Aqueous solubility; Kow; Hydrophobicity; Lipophobicity; QSAR |
| Abstract | The aqueous solubilities (Sw), the octanol/water partition coefficients (Kow), and the solubilities in octanol (Soct) of a series of nine hydrophobic anthraquinone and azo dyes have been experimentally determined. Some dyes show more than one aqueous solubility, which is probably due to their polymorphic crystalline forms. Sw ranged from 1 μg/L to 1 mg/L, the log Kow ranged from 3.6 to > 5.8, and Soct ranged from 10 to 3,000 mg/L. The dyes are not only hydrophobic but lipophobic as well. The most important finding is that there is a discrepancy between the Kow and the ratio Soct/Sw for the dyes, while there is a relatively good relationship between either Sw or Soct and the ratio Soct/Sw. The discrepancy probably explains why estimated values of Sw and Kow generally underestimated the experimental ones and that none of the calculated molecular properties (molecular weight, surface area, and volume) was highly correlated to either Sw or Kow. The results show that insufficient knowledge is available to understand and predict the magnitude of the physicochemical properties of the dyes. Therefore, these properties should be preferably experimentally determined. |
| Persistent UFZ Identifier | https://www.ufz.de/index.php?en=20939&ufzPublicationIdentifier=8414 |
| Sijm, D.T.H.M., Schüürmann, G., de Vries, P.J., Opperhuizen, A. (1999): Aqueous solubility, octanol solubility, and octanol/water partition coefficient of nine hydrophobic dyes Environ. Toxicol. Chem. 18 (6), 1109 - 1117 |
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