The solubility of ciclesonide in seven organic solvents (ethanol, 2-propanol, 1-propanol, 1-butanol, acetonitrile, toluene and ethyl acetate) in the temperature range from 278.15 K to 313.15 K was measured by gravimetrical method under atmospheric pressure. The results indicate that the solubility of ciclesonide increases with elevating temperature in all investigated solvents. The solubility order in different solvents was interpreted through comparing interaction force between solute and solvent molecules by virtue of density function theory (DFT). Thermodynamic equations including the modified Apelblat equation, kh equation, Wilson equation and NRTL equation are all suitable to correlate the solubility results. Based on the Wilson equation, the thermodynamic parameters from the mixing process are calculated, and the results indicate the mixing process of ciclesonide in the selected pure solvents is spontaneous and entropy-driven.
Compounds
#
Formula
Name
1
C32H44O7
Ciclesonide
2
C3H8O
propan-2-ol
3
C3H8O
propan-1-ol
4
C4H10O
butan-1-ol
5
C2H6O
ethanol
6
C2H3N
acetonitrile
7
C7H8
toluene
8
C4H8O2
ethyl acetate
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
Molar heat capacity at constant pressure, J/K/mol ; Crystal
Temperature, K; Crystal
Pressure, kPa; Crystal
Crystal
Small sample (50 mg) DSC
511
POMD
1
Molar heat capacity at constant pressure, J/K/mol ; Liquid