Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Measurement, correlation and dissolution thermodynamics of biological active chalcone in organic solvents at different temperatures

Bhesaniya, K. D., Nandha, K., Baluja, S.[Shipra]
J. Chem. Thermodyn. 2014, 74, 32-38
ABSTRACT
The present study reports the synthesis, characterization and solubility of (E)-2-(4-chlorobenzylidene) -3,4-dihydronaphthalen-1(2H)-one. The compound was synthesized by standard process. The purity was monitored by TLC and confirmation of structure was done by using mass, IR and 1H NMR spectral techniques. Further, solubility study of this synthesized compound was conducted in methanol, ethanol, 1-propanol, 1-butanol, tetrahydrofuran (THF), ethyl acetate (EA), acetone (AC) and chloroform (CF) at temperatures ranging from (293.15 to 323.15) K under atmospheric pressure. Further, the solubility data were correlated against temperature and were found to increase with temperature. The modified Apelblat and Buchowski Ksiazczak kh equations were used to correlate the experimental solubility data. Further, some thermodynamic parameters such as dissolution enthalpy (DH), Gibbs free energy (DG) and entropy (DS) of mixing have also been calculated. The positive enthalpy and Gibbs free energy values suggest the dissolution process to be endothermic and spontaneous.
Compounds
# Formula Name
1 C17H13ClO (E)-2-[(4-chlorophenyl)methylene]-3,4-dihydro-1(2H)-naphthalenone
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C4H10O butan-1-ol
6 C3H6O acetone
7 C4H8O tetrahydrofuran
8 C4H8O2 ethyl acetate
9 CHCl3 trichloromethane
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
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 7
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 7
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 7
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 7
  • POMD
  • 6
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 7
  • POMD
  • 7
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 7
  • POMD
  • 9
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 7
  • POMD
  • 8
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 7