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Prediction of Setschenow constants of N-heteroaromatics in NaCl solutions based on the partial charge on the heterocyclic nitrogen atom

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 s , were employed to describe the solubility behavio... Full description

Journal Title: Environmental Science and Pollution Research 2016, Vol.23(4), pp.3399-3405
Main Author: Yang, Bin
Other Authors: Li, Zhongjian , Lei, Lecheng , Sun, Feifei , Zhu, Jingke
Format: Electronic Article Electronic Article
Language: English
Subjects:
ID: ISSN: 0944-1344 ; E-ISSN: 1614-7499 ; DOI: 10.1007/s11356-015-5544-x
Link: http://dx.doi.org/10.1007/s11356-015-5544-x
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recordid: springer_jour10.1007/s11356-015-5544-x
title: Prediction of Setschenow constants of N-heteroaromatics in NaCl solutions based on the partial charge on the heterocyclic nitrogen atom
format: Article
creator:
  • Yang, Bin
  • Li, Zhongjian
  • Lei, Lecheng
  • Sun, Feifei
  • Zhu, Jingke
subjects:
  • N-heteroaromatics
  • Solubility
  • Setschenow constant
  • Salting-out effect
  • Partial charge
ispartof: Environmental Science and Pollution Research, 2016, Vol.23(4), pp.3399-3405
description: 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 s , 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 s . Moreover, K s showed a good linear relationship with the partial charge on the nitrogen atom ( Q N ) for either Q N  > 0 or Q N  
language: eng
source:
identifier: ISSN: 0944-1344 ; E-ISSN: 1614-7499 ; DOI: 10.1007/s11356-015-5544-x
fulltext: fulltext
issn:
  • 1614-7499
  • 16147499
  • 0944-1344
  • 09441344
url: Link


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titlePrediction of Setschenow constants of N-heteroaromatics in NaCl solutions based on the partial charge on the heterocyclic nitrogen atom
creatorYang, Bin ; Li, Zhongjian ; Lei, Lecheng ; Sun, Feifei ; Zhu, Jingke
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subjectN-heteroaromatics ; Solubility ; Setschenow constant ; Salting-out effect ; Partial charge
descriptionThe 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 s , 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 s . Moreover, K s showed a good linear relationship with the partial charge on the nitrogen atom ( Q N ) for either Q N  > 0 or Q N  < 0 N-heteroaromatics. It further revealed that Q N was well-matched in the prediction of salting-out effect for N-heteroaromatics compared to the conventional descriptors such as molar volume ( V H ) and the octanol-water partition coefficient ( K ow ). The heterocyclic N in N-heteroaromatics may interact with Na + ions in NaCl solution for Q N  < 0 and with Cl − for Q N  > 0.
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titlePrediction of Setschenow constants of N-heteroaromatics in NaCl solutions based on the partial charge on the heterocyclic nitrogen atom
descriptionThe 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 s , 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 s . Moreover, K s showed a good linear relationship with the partial charge on the nitrogen atom ( Q N ) for either Q N  > 0 or Q N  < 0 N-heteroaromatics. It further revealed that Q N was well-matched in the prediction of salting-out effect for N-heteroaromatics compared to the conventional descriptors such as molar volume ( V H ) and the octanol-water partition coefficient ( K ow ). The heterocyclic N in N-heteroaromatics may interact with Na + ions in NaCl solution for Q N  < 0 and with Cl − for Q N  > 0.
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titlePrediction of Setschenow constants of N-heteroaromatics in NaCl solutions based on the partial charge on the heterocyclic nitrogen atom
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abstractThe 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 s , 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 s . Moreover, K s showed a good linear relationship with the partial charge on the nitrogen atom ( Q N ) for either Q N  > 0 or Q N  < 0 N-heteroaromatics. It further revealed that Q N was well-matched in the prediction of salting-out effect for N-heteroaromatics compared to the conventional descriptors such as molar volume ( V H ) and the octanol-water partition coefficient ( K ow ). The heterocyclic N in N-heteroaromatics may interact with Na + ions in NaCl solution for Q N  < 0 and with Cl − for Q N  > 0.
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doi10.1007/s11356-015-5544-x
pages3399-3405
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