Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Solubility and phase behavior of binary systems containing salts based on transitional metals

Zakrzewska, M. E.[Malgorzata E.], Paninho, A. B.[Ana B.], Molho, M. F.[Marta F.], Nunes, A. V. M.[Ana V.M.], Afonso, C. A. M.[Carlos A.M.], Rosatella, A. A.[Andreia A.], Lopes, J. M.[Joana M.], Najdanovic-Visak, V.[Vesna]
J. Chem. Thermodyn. 2013, 63, 123-127
ABSTRACT
Tri(1-ethyl-3-methylimidazolium) gadolinium hexachloride ([emim]3[GdCl6]), tri(1-butyl-3-methylimidazolium) hexagadolinium chloride ([bmim]3[GdCl6]), di(tetramethylammonium) manganese tetrachloride ([TMA]2[MnCl4]) and cholinium tetrachloroferrate ([Chol][FeCl4]) were synthetized and their solubility in water, ethanol, 1-propanol and 1-butanol were determined as a function of temperature. Activity coefficients were calculated and their comparison with ideal solutions is discussed. The experimental data were correlated successfully by means of the semi-empirical Grant equation. In addition, melting point depression effect of high pressure carbon dioxide was studied.
Compounds
# Formula Name
1 C18H33Cl6GdN6 tri(1-ethyl-3-methylimidazolium) gadolinium hexachloride
2 C24H45Cl6GdN6 tri(1-butyl-3-methylimidazolium) gadolinium hexachloride
3 C8H24Cl4MnN2 bis(tetramethylammonium) tetachloromanganate
4 C5H14Cl4FeNO cholinium tetrachloroferrate
5 C2H6O ethanol
6 C3H8O propan-1-ol
7 C4H10O butan-1-ol
8 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
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 4
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 4
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 8
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Visual Dynamic Method
  • 8
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Visual Dynamic Method
  • 8
  • POMD
  • 6
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Visual Dynamic Method
  • 10
  • POMD
  • 7
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Visual Dynamic Method
  • 8
  • POMD
  • 5
  • 3
  • Mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Visual Dynamic Method
  • 4
  • POMD
  • 6
  • 3
  • Mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Visual Dynamic Method
  • 2
  • POMD
  • 5
  • 4
  • Mole fraction - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • Visual Dynamic Method
  • 10
  • POMD
  • 6
  • 4
  • Mole fraction - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • Visual Dynamic Method
  • 16
  • POMD
  • 7
  • 4
  • Mole fraction - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • Visual Dynamic Method
  • 15