Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Determination and correlation of solubility of N-methyl-3,4,5- trinitropyrazole (MTNP) in ten pure solvents from 283.15 K to 323.15 K

Guo, H.-J.[Heng-Jie], Cao, D.-l.[Duan-lin], Liu, Y.[Yang], Dang, X.[Xin], Yang, F.[Feng], Li, Y.-x.[Yong-xiang], Hu, W.-h.[Wang-hua], Jiang, Z.-m.[Zhen-ming], Li, Z.-h.[Zhi-hua]
Fluid Phase Equilib. 2017, 444, 13-20
ABSTRACT
The solubility of N-methyl-3,4,5-trinitropyrazole (MTNP) in ten pure solvents, including benzene, methanol, ethanol, n-propanol, isopropyl alcohol, n-butanol, isobutyl alcohol, n-pentanol, isoamyl alcohol and water, were firstly determined by the gravimetric method with the temperature ranging from 283.15K to 323.15K under atmospheric pressure (0.1 MPa). The results indicated that the solubility of MTNP increases with the increasing temperature in each pure solvent. Furthermore, the solubility of MTNP in alcohols decreases as the increasing number of carbon atoms and methanol has more dissolving capacity. Additionally, to extend the applicability of the solubility, the modified Apelblat equation, poundsfh equation, the ideal model and the polynomial empirical equation were used to correlate the solubility values. Besides, standard dissolution enthalpy, standard dissolution entropy and standard dissolution Gibbs free energy of dissolution were calculated and discussed from the experimental data. Moreover, the solubility of MTNP in each pure solvent will provide essential support for crystallization and further theoretical studies.
Compounds
# Formula Name
1 C4H3N5O6 N-methyl-3,4,5-trinitropyrazole
2 C6H6 benzene
3 CH4O methanol
4 C2H6O ethanol
5 C3H8O propan-1-ol
6 C3H8O propan-2-ol
7 C4H10O butan-1-ol
8 C4H10O 2-methyl-1-propanol
9 C5H12O 3-methylbutan-1-ol
10 H2O water
11 C5H12O pentan-1-ol
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
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 6
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 7
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 8
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 9
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 10
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 11
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9