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

Experimental Determination and Thermodynamic Models for Solid-Liquid Equilibrium of 4-(4-Aminophenoxy)-N-methylpyridine-2-carboxamide in Pure and Binary Solvent Mixtures for T = (278.15-328.15) K

Sheng, Huace, Fan, Shimin, Zhao, Wangdan, Zhang, Jian, Zhao, Xinxin, Hu, Yonghong, Qian, Yonggen, Yang, Wenge
J. Chem. Eng. Data 2018, 63, 6, 2185-2196
ABSTRACT
In this study, the solubility of 4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide (APMC) in pure tetrahydrofuran, ethyl acetate, acetonitrile, n-butanol, n-propanol, ethanol, methanol and three binary solvent mixtures (ethyl acetate + methanol, ethyl acetate + ethanol, ethyl acetate + n-butanol) was firstly experimentally determined within the temperature range from (278.15 to 328.15) K under atmosphere pressure by gravimetric method. The results reveal that the solubility of APMC increases with the increasing temperature in all solvents selected. The modified Apelblat equation and the Buchowski-Ksiazaczak h equation were used to correlate the experimental solubility in pure solvents while the modified Apelblat equation, the CNIBS/R-K model and the Jouyban-Acree model were applied to correlate the solubility in binary solvent mixtures. All the models could be well applied and the modified Apelblat equation stood out to be more suitable with a higher accuracy than the other three models.
Compounds
# Formula Name
1 C13H13N3O2 4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C4H10O butan-1-ol
6 C4H8O2 ethyl acetate
7 C2H3N acetonitrile
8 C4H8O tetrahydrofuran
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
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • 8
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 11
  • POMD
  • 1
  • 6
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 11
  • POMD
  • 1
  • 7
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 11
  • POMD
  • 1
  • 5
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 11
  • POMD
  • 1
  • 4
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 11
  • POMD
  • 1
  • 3
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 11
  • POMD
  • 1
  • 2
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 11
  • POMD
  • 1
  • 6
  • 5
  • Mole fraction - 1 ; Liquid
  • Solvent: Mole fraction - 6; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 88
  • POMD
  • 1
  • 6
  • 3
  • Mole fraction - 1 ; Liquid
  • Solvent: Mole fraction - 6; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 88
  • POMD
  • 1
  • 6
  • 2
  • Mole fraction - 1 ; Liquid
  • Solvent: Mole fraction - 6; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 88