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

Experiment and Computation of Solubility and Dissolution Properties for Enalapril Maleate and Its Intermediate in Pure Solvents

Qiao, Bin, Du, Cunbin, Dong, Ruimei, Jin, Zhudan, Zhang, Ying, Ye, Tingting, Wang, Mingliang
J. Chem. Eng. Data 2018, 63, 12, 4306-4313
ABSTRACT
The object is to research the solid-liquid phase of enalapril maleate and its intermediate enalapril hydride in pure solvent. Within the investigated temperature range, the mole fraction solubility data in the selected solvents increase with the increasing temperature. The solubility of enalapril hydride in different solvents decrease according to the following order: ethyl acetate greater than acetone greater than ethanol greater than n-octanol greater than isopropanol greater than acetonitrile; while enalapril maleate obey the order: ethyl acetate greater than acetone greater than ethanol greater than acetonitrile greater than n-octanol greater than isopropanol. The experimental solubility data of enalapril hydride and enalapril maleate in those solvents were correlated by the modified Apelblat equation, Buchowski-Ksiazaczak h equation and Wilson equation. The maximum values of root-mean-square deviation (RMSD) and relative average deviation (RAD) obtained by the three equations were 1.48x10-4, 4.12% (enalapril hydride) and 2.82x10-4, 4.99% (enalapril maleate) respectively. It was found from the RMSD value that the modified Apelblat equation is more ACS Paragon Plus Environment
Compounds
# Formula Name
1 C15H21NO4 ((S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)-L-alanine
2 C24H32N2O9 enalapril maleate
3 C2H6O ethanol
4 C3H8O propan-2-ol
5 C4H8O2 ethyl acetate
6 C3H6O acetone
7 C2H3N acetonitrile
8 C8H18O octan-1-ol
9 C7H6O2 benzoic acid
10 C7H8 toluene
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
  • DTA
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 2
  • 3
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 10
  • POMD
  • 2
  • 7
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 10
  • POMD
  • 2
  • 4
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 10
  • POMD
  • 2
  • 6
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 10
  • POMD
  • 2
  • 5
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 10
  • POMD
  • 2
  • 8
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 10
  • POMD
  • 9
  • 10
  • Mole fraction - 9 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 9
  • Chromatography
  • 10