Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Experimental determination and correlation of the solubility of 4-hydroxy-2,5-dimethyl-3(2H)-furanone (DMHF) in six different solvents

Zhu, L.[Liang], Wang, L.-y.[Li-yu], Li, X.-c.[Xian-chao], Sha, Z.-l.[Zuo-liang], Wang, Y.-f.[Yan-fei], Yang, L.-b.[Li-bin]
J. Chem. Thermodyn. 2015, 91, 369-377
ABSTRACT
The objective of this work was to measure and correlate the solubility of 4-hydroxy-2,5-dimethyl-3(2H)- furanone (DMHF) in six pure solvents, including methanol, ethanol, n-propyl alcohol, n-butyl alcohol, nhexane and distilled water, over the temperature range from 283.15 K to 313.15 K under atmospheric pressure of 0.10 MPa. Measurements were performed using the dynamic method coupled with a laser monitoring system as the observation technique. The solubility of DMHF in all the selected solvents was found to increase with rising temperature, and methanol has much more dissolving capacity for the DMHF solute. The experimental solubility of DMHF in pure solvents was well correlated with the modified Apelblat equation, van t Hoff equation and kh equation. The results of the error analysis indicated that the modified Apelblat equation was able to give more accurate and reliable predictions of solubility with the relative average deviation (RAD) and root-mean-square deviation (RMSD) values being observed in the range of 0.21 0.67% and 0.01 0.13%, respectively. The modified Apelblat equation was therefore used to estimate the changes of dissolution enthalpy (DdissH ), dissolution entropy (DdissS ) and molar Gibbs free energy (DG diss) of DMHF in the solvents investigated. The positive values of the DdissH , DdissS and DdissG revealed the dissolution process of DMHF in the selected solvents was endothermic and enthalpy-driven.
Compounds
# Formula Name
1 C6H8O3 4-hydroxy-2,5-dimethyl-3(2H)-furanone
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C4H10O butan-1-ol
6 C6H14 hexane
7 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
  • 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
  • Titration method
  • 7
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 7
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 7
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 7
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 7
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 7
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 7
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 7
  • POMD
  • 6
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 7
  • POMD
  • 6
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 7
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 7
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 7