Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Solid-Liquid Equilibria of N-Methylephedrine Enantiomers and Their Mixtures in Three Chiral Solvents Distinguished by Chain Length

Tulashie, S. K.[Samuel Kofi], Lorenz, H.[Heike], Seidel-Morgenstern, A.[Andreas]
J. Chem. Eng. Data 2010, 55, 12, 5824-5828
ABSTRACT
Solubility equilibria of the chiral N-methylephedrine species in three chiral solvents, (S)-methyl lactate, (S)-propyl lactate, and (S)-butyl lactate, have systematically been studied. Solubility measurements were performed for enantiomeric compositions ranging from 1:1 mixtures to the pure enantiomer and at temperatures between (273 and 298) K. The influence of increasing chain length of the chiral solvents on solubility has been evaluated.
Compounds
# Formula Name
1 C11H17NO (+)-N-methylephedrine
2 C11H17NO (-)-N-methylephedrine
3 C4H8O3 (S)-methyl 2-hydroxypropanoate
4 C6H12O3 propyl (S)-2-hydroxypropanoate
5 C7H14O3 propanoic acid, 2-hydroxy-, 1,1-dimethylethyl ester, (S)-
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
  • 2
  • 3
  • 1
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Crystal - 1
  • Chromatography
  • 6
  • POMD
  • 2
  • 3
  • 1
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Crystal - 1
  • Chromatography
  • 6
  • POMD
  • 2
  • 3
  • 1
  • Mass fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 12
  • POMD
  • 2
  • 3
  • 1
  • Mass fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 12
  • POMD
  • 2
  • 1
  • 4
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Crystal - 1
  • Chromatography
  • 6
  • POMD
  • 2
  • 1
  • 4
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Crystal - 1
  • Chromatography
  • 6
  • POMD
  • 2
  • 1
  • 4
  • Mass fraction - 4 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 12
  • POMD
  • 2
  • 1
  • 4
  • Mass fraction - 4 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 12
  • POMD
  • 2
  • 5
  • 1
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Crystal - 1
  • Chromatography
  • 6
  • POMD
  • 2
  • 5
  • 1
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Crystal - 1
  • Chromatography
  • 6
  • POMD
  • 2
  • 5
  • 1
  • Mass fraction - 5 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 12
  • POMD
  • 2
  • 5
  • 1
  • Mass fraction - 5 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 12