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- Title
Prediction of Setschenow constants of N-heteroaromatics in NaCl solutions based on the partial charge on the heterocyclic nitrogen atom.
- Authors
Yang, Bin; Li, Zhongjian; Lei, Lecheng; Sun, Feifei; Zhu, Jingke
- Abstract
The solubilities of 19 different kinds of N-heteroaromatic compounds in aqueous solutions with different concentrations of NaCl were determined at 298.15 K with a UV-vis spectrophotometry and titration method, respectively. Setschenow constants, K, were employed to describe the solubility behavior, and it is found that the higher ring numbers of N-heteroaromatics gave rise to the lower values of K. Moreover, K showed a good linear relationship with the partial charge on the nitrogen atom ( Q) for either Q > 0 or Q < 0 N-heteroaromatics. It further revealed that Q was well-matched in the prediction of salting-out effect for N-heteroaromatics compared to the conventional descriptors such as molar volume ( V) and the octanol-water partition coefficient ( K). The heterocyclic N in N-heteroaromatics may interact with Na ions in NaCl solution for Q < 0 and with Cl for Q > 0.
- Subjects
AROMATIC compounds; SOLUBILITY; SALTING out (Chemistry); PRECIPITATION (Chemistry); PROTEIN fractionation
- Publication
Environmental Science & Pollution Research, 2016, Vol 23, Issue 4, p3399
- ISSN
0944-1344
- Publication type
Article
- DOI
10.1007/s11356-015-5544-x