Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

(Solid + liquid) phase equilibria and solid-compound formation in (N-methyl-2-pyrrolidinone + phenol, or 3,5-dimethylphenol)

Domanska, U.[Urszula], Lachwa, J.[Joanna]
Fluid Phase Equilib. 2005, 232, 1-2, 214-218
ABSTRACT
(Solid + liquid) equilibria for the binary systems (N-methyl-2-pyrrolidinone + phenol, or 3,5-dimethylphenol) have been determined using a cryometric dynamic method. Congruently melting compounds form with the formulae: C5H9NO*C6H5OH, or C5H9NO*(C6H5OH)2, and C5H9NO*C8H9OH, or C5H9NO*(C8H9OH)2. Compound formation is attributed to a charge-transfer interaction of N-methyl-2-pyrrolidinone with phenol or 3,5-dimethylphenol, or is attributed to a strongO H* * *Ohydrogen bond between the oxygen atom of N-methyl-2-pyrrolidinone and hydroxyl group of phenol. The larger intermolecular interaction is observed for the (N-methyl-2-pyrrolidinone + phenol) binary mixture, where the melting temperature of the 1:1 congruently melting compound is higher. Experimental solubility results are compared with values calculated by means of the Ott equation using parameters derived from the SLE results. The correlation of the solubility data is obtained with a average root-mean-square deviation in temperature oT = 0.25K and oT = 0.19K for the systems with phenol or 3,5-dimethylphenol, respectively.
Compounds
# Formula Name
1 C5H9NO N-methylpyrrolidone
2 C6H6O phenol
3 C8H10O 3,5-dimethylphenol
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
  • VISOBS
  • 1
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 3
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 2
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • VISOBS:UFactor:4
  • 6
  • POMD
  • 2
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • VISOBS:UFactor:4
  • 8
  • POMD
  • 2
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 2
  • VISOBS:UFactor:8
  • 22
  • POMD
  • 2
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS:UFactor:4
  • 3
  • POMD
  • 3
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • VISOBS:UFactor:4
  • 7
  • POMD
  • 3
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • VISOBS:UFactor:4
  • 6
  • POMD
  • 3
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 2
  • VISOBS:UFactor:8
  • 23
  • POMD
  • 3
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS:UFactor:4
  • 5