Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Measurement and correlation of solubility of methyleneaminoacetonitrile in pure and binary solvents and thermodynamic properties of solution

Wang, L.[Long], Zhang, H.[Haihan], Shen, Z.[Zhiqiang], Xu, L.[Li], Liu, G.[Guoji]
J. Chem. Thermodyn. 2019, 134, 146-156
ABSTRACT
The solubility of methyleneaminoacetonitrile in methanol, ethanol, n-propanol, n-butanol, water and binary solvents (n-propanol + methanol, water + methanol) was measured by a laser dynamic method under atmospheric pressure at temperature ranging from 278.15 K to 323.15 K. The solubility order of methyleneaminoacetonitrile in pure solvents was methanol greater than ethanol greater than n-propanol greater than water greater than n-butanol. For binary solvents, the solubility of methyleneaminoacetonitrile increased with increasing the content of methanol. In addition, Hansen solubility parameters (HSP) was also used to explain and predict the solubility behavior. In pure solvents, the experimental solubility data were correlated by modified Apelblat equation, kh equation, NRTL model, and Wilson model; and in binary solvents the experimental solubility data were correlated by the modified Apelblat equation, kh equation, Jouyban-Acree model, and Sun model. The values of RD, RAD, and RMSD indicated that these models fit the solubility data well in pure and binary solvents. The thermodynamic properties (DsolH , DsolS , DsolG , %nH, %nTS) of the solution were calculated from the van t Hoff equation, and the dissolution process was endothermic, and the force for the dissolution process was entropy-driven in pure and binary solvents.
Compounds
# Formula Name
1 C3H4N2 methyleneaminoacetonitrile
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C4H10O butan-1-ol
6 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
  • Titration method
  • 10
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 10
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 10
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 10
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 10
  • POMD
  • 1
  • 2
  • 4
  • Mole fraction - 1 ; Liquid
  • Solvent: Mass fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 60
  • POMD
  • 1
  • 2
  • 6
  • Mole fraction - 1 ; Liquid
  • Solvent: Mass fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 60