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

Solubility Measurement and Modeling of 3-Hydroxy-2-nitropyridine in Ten Pure Solvents and Two Binary Mixed Solvents for T = (278.15-318.15) K

Li, F.[Fangzhao], Zhao, G.[Guomin], Deng, Z.[Zhenmei], Hu, Y.[Yonghong], Yang, W.[Wenge]
J. Chem. Eng. Data 2019, 64, 10, 4518-4524
ABSTRACT
The solubility of 3-hydroxy-2-nitropyridine in ten pure solvents and two binary mixture solvent (tetrahydrofuran + n-hexane and tetrahydrofuran + isopropanol) was measured from 278.15 K to 318.15 K. The solubility order in pure solvents was tetrahydrofuran greater thanacetone greater than acetonitrile greater than ethyl acetate greater thanmethanol greater than ethanol npropanol greater than isopropanolgreater than water greater than n-hexane. We used two models to fit monocomponent data and three binary mixed models to fit binary mixture solvent. For modified Apelblat model and h model, the maximum ARD values were 1.16% and 1.52%, respectively, and the maximum RMSD values were 1.61%, and 1.53%, respectively. For the Apelblat-Jouyban-Acree model, Jouyban-Acree model, and van't Hoff-Jouyban-Acree model, the maximum value of ARD is 3.69%, and the maximum value of RMSD is 0.48%. These models can fit the measured data well. We also discussed the effect of the interaction between solvent and solute on solubility. These experimental data are helpful for technological research and drug purification production.
Compounds
# Formula Name
1 C5H4N2O3 2-nitropyridin-3-ol
2 C6H14 hexane
3 CH4O methanol
4 C2H6O ethanol
5 C3H8O propan-1-ol
6 C3H8O propan-2-ol
7 C4H8O2 ethyl acetate
8 C3H6O acetone
9 C2H3N acetonitrile
10 C4H8O tetrahydrofuran
11 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
  • Triple point temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 9
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 10
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 11
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 10
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 10; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 99
  • POMD
  • 1
  • 10
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 10; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 99