Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Solubility and Preferential Solvation of Carbazochrome in Solvent Mixtures of N,N-Dimethylformamide Plus Methanol/Ethanol/n-Propanol and Dimethyl Sulfoxide Plus Water

Zhu, Yanqing, Cheng, Chao, Zhao, Hongkun
J. Chem. Eng. Data 2018, 63, 3, 822-831
ABSTRACT
The carbazochrome solubility in solvent Page 2 of 37 mixtures of DMF (N,N-dimethylformamide, 1) + methanol (2), DMF (1) + ethanol (2), DMF (1) + n-propanol (2) and dimethyl sulfoxide (DMSO, 1) + water (2) was measured by the static method within the temperature range from (278.15 to 318.15) K under atmospheric pressure p = 101.0 kPa. The solubility of carbazochrome increased with rising mass fraction of DMF or DMSO and temperature. The Jouyban- Acree, van't Hoff-Jouyban-Acree and Apelblat-Jouyban-Acree models were used to correlate the obtained solubility, and the Apelblat-Jouyban-Acree model provided better correlation results. The parameters of preferential solvation (x1,3) were acquired from the mixture properties with the method of inverse Kirkwood-Buff integrals. The values of x1,3 changed non-linearly with the DMF/DMSO (1) proportion in the studied mixed solvents. The carbazochrome was solvated preferentially by alcohol or water in alcohol or water-rich solutions, and preferentially solvated by DMF/DMSO in DMF/DMSO-rich mixtures. It could be speculated that in DMF/DMSO-rich mixtures the interaction by acidic hydrogen-bonding upon the basic sites of carbazochrome played a significant role in carbazochrome solvation.
Compounds
# Formula Name
1 C10H12N4O3 carbazochrome
2 C3H7NO dimethylformamide
3 CH4O methanol
4 C2H6O ethanol
5 C3H8O propan-1-ol
6 C2H6OS dimethyl sulfoxide
7 H2O water
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 1
  • 2
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 99
  • POMD
  • 1
  • 2
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 99
  • POMD
  • 1
  • 2
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 99
  • POMD
  • 1
  • 6
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 99
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9