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

Solubility of Clonazepam and Diazepam in Polyethylene Glycol 200, Propylene Glycol, N-Methyl Pyrrolidone, Ethanol, and Water at (298.2 to 318.2) K and in Binary and Ternary Mixtures of Polyethylene Glycol 200, Propylene Glycol, and Water at 298.2 K

Soltanpour, S.[Shahla], Bastami, Z.[Zahra], Sadeghilar, S.[Shayan], Kouhestani, M.[Morteza], Pouya, F.[Farid], Jouyban, A.[Abolghasem]
J. Chem. Eng. Data 2013, 58, 2, 307-314
ABSTRACT
Experimental molar solubility of clonazepam and diazepam in binary and ternary mixtures of polyethylene glycol 200 (PEG 200), propylene glycol (PG), and water (116 data points) along with the density of saturated solutions at 298.2 K were reported. Also, the experimental solubilities of clonazepam and diazepam in the monosolvents of PEG 200, PG, N-methyl pyrrolidone (NMP), ethanol (EtOH), and water at five different temperatures, (298.2, 303.2, 308.2, 313.2, and 318.2) K (50 data points), have been reported. The Jouyban Acree model was used to fit to the measurements for providing a computational method. Employing the solubilities in the neat solvents, the measured solubilities were back-calculated, and the overall mean percentage deviations (OMPDs) of the model were 21.4 % and 19.5 % for clonazepam and diazepam, respectively. An addition of the Hansen solubility parameters to the model helps us to train all of the data sets (clonazepam and diazepam) at once, and the back-calculated OMPD was 20.7 %.
Compounds
# Formula Name
1 C5H9NO N-methylpyrrolidone
2 C15H10ClN3O3 clonazepam
3 C3H8O2 1,2-propanediol
4 C2H6O ethanol
5 H2O water
6 C16H13ClN2O 7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one
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
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • UV-Vis spectrophotometer
  • 5
  • POMD
  • 3
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • UV-Vis spectrophotometer
  • 5
  • POMD
  • 4
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • UV-Vis spectrophotometer
  • 5
  • POMD
  • 2
  • 5
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • UV-Vis spectrophotometer
  • 5
  • POMD
  • 1
  • 6
  • Mole fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • UV-Vis spectrophotometer
  • 5
  • POMD
  • 3
  • 6
  • Mole fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • UV-Vis spectrophotometer
  • 5
  • POMD
  • 4
  • 6
  • Mole fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • UV-Vis spectrophotometer
  • 5
  • POMD
  • 6
  • 5
  • Mole fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • UV-Vis spectrophotometer
  • 5