Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

(Solid + liquid) phase equilibria of binary mixtures containing N-methyl-2-pyrrolidinone and ethers at atmospheric pressure

Domanska, U., Lachwa, J.
Fluid Phase Equilib. 2005, 227, 1, 135-143
ABSTRACT
Solid liquid equilibria (SLE), have been measured from 270K to the boiling temperature of the solvent for 10 binary mixtures of Nmethyl-2-pyrrolidinone, with ethers (dipropyl ether, dibutyl ether, dipentyl ether, methyl 1,1-dimethylethyl ether, methyl 1,1-dimethylpropyl ether, ethyl 1,1-dimethylpropyl ether, 1,4-dioxane, tetrahydrofuran, tetrahydropyran, 18-crown-6) using a dynamic method. The solubility of N-methyl-2-pyrrolidinone in ethers is lower than in alcohols and generally decreases with an increase of the number of carbon atoms of ether chain. The highest intermolecular solute solvent interaction is observed for the cyclic ethers and for methyl 1,1-dimethylethyl ether. Experimental solubility results are compared with values calculated by means of the Wilson, UNIQUAC ASM and two NRTL equations utilizing parameters derived from SLE results. The existence of a solid solid first-order phase transition in 18-crown-6 ether has been taken into consideration in the calculations. The correlation of the solubility data has been obtained with the average root-mean-square deviation of temperature oT = 0.9K with UNIQUAC ASM and two NRTL equations and 0.6K with the Wilson equation.
Compounds
# Formula Name
1 C5H9NO N-methylpyrrolidone
2 C6H14O dipropyl ether
3 C8H18O dibutyl ether
4 C10H22O dipentyl ether
5 C5H12O 2-methoxy-2-methylpropane
6 C6H14O 2-methoxy-2-methylbutane
7 C7H16O 1,1-dimethylpropyl ethyl ether
8 C4H8O2 1,4-dioxane
9 C4H8O tetrahydrofuran
10 C5H10O tetrahydropyran
11 C12H24O6 1,4,7,10,13,16-hexaoxacyclooctadecane
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:FP
  • 1
  • POMD
  • 1
  • Solid-liquid equilibrium temperature, K ; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Liquid
  • VISOBS:UFactor:2
  • 1
  • POMD
  • 8
  • Solid-liquid equilibrium temperature, K ; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Liquid
  • VISOBS:UFactor:2
  • 1
  • POMD
  • 11
  • Solid-liquid equilibrium temperature, K ; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • Liquid
  • VISOBS:UFactor:4
  • 1
  • POMD
  • 2
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS:UFactor:2
  • 15
  • POMD
  • 3
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS:UFactor:2
  • 26
  • POMD
  • 4
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS:UFactor:2
  • 23
  • POMD
  • 1
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS:UFactor:2
  • 17
  • POMD
  • 1
  • 6
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS:UFactor:2
  • 22
  • POMD
  • 1
  • 7
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS:UFactor:2
  • 22
  • POMD
  • 9
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS:UFactor:4
  • 26
  • POMD
  • 10
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS:UFactor:4
  • 34
  • POMD
  • 8
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS:UFactor:2
  • 12
  • POMD
  • 8
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 8
  • VISOBS:UFactor:2
  • 38
  • POMD
  • 1
  • 11
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS:UFactor:4
  • 6
  • POMD
  • 1
  • 11
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 2 - 11
  • VISOBS:UFactor:4
  • 17
  • POMD
  • 1
  • 11
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 1 - 11
  • VISOBS:UFactor:4
  • 6