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

Correlation of Solubility of Bioactive Compound Reserpine in Eight Green Solvents at (298.15 to 338.15) K

Shakeel, F.[Faiyaz], Haq, N.[Nazrul], Nasir, A. S.[Ali Siddiqui], Alanazi, F.[Fars], Alsarra, I.[Ibrahim]
J. Chem. Eng. Data 2015, 60, 3, 775-780
ABSTRACT
The solubility of reserpine in eight different green solvents, namely, water, ethanol, ethylene glycol (EG), ethyl acetate (EA), isopropanol (IPA), propylene glycol (PG), poly(ethylene glycol)-400 (PEG-400), and transcutol, was measured and correlated from (298.15 to 338.15) K using the shake flask method. The experimental solubilities were correlated with temperature-dependent Apelblat and ideal equations. For the Apelblat equation, the root-mean-square deviations (RMSD) and correlation coefficients (R2) were obtained as 0.005 to 0.053 and 0.9978 to 0.9999, respectively. For an ideal Apelblat equation, the RMSD and R2 were obtained as 0.005 to 0.018 and 0.9950 to 0.9990, respectively. The mole fraction solubility of reserpine was observed highest in PEG-400 (1.44*10 3 at 298.15 K) followed by transcutol, EG, PG, IPA, ethanol, and water from (298.15 to 338.15) K. However, the mass fraction solubility of reserpine was observed highest in EA (3.60*10 3 at 298.15 K). The dissolution enthalpy, Gibbs energy, and dissolution entropy were determined by van t Hoff and Krug analysis, and results showed endothermic and spontaneous dissolution of reserpine in all green solvents investigated.
Compounds
# Formula Name
1 C33H40N2O9 Reserpine
2 C2H6O ethanol
3 C3H8O2 1,2-propanediol
4 C6H14O3 3,6-dioxa-1-octanol
5 C2H6O2 1,2-ethanediol
6 C4H8O2 ethyl acetate
7 C3H8O propan-2-ol
8 H2O water
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
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectra
  • 5
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectra
  • 5
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectra
  • 5
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectra
  • 5
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectra
  • 5
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectra
  • 5
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectra
  • 5