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

Solubility of the Antimicrobial Agent Triclosan in Organic Solvents of Different Hydrogen Bonding Capabilities at Several Temperatures

Aragon, D. M.[Diana M.], Ruidiaz, M. A.[Miller A.], Vargas, E. F.[Edgar F.], Bregni, C.[Carlos], Chiappetta, D. A.[Diego A.], Sosnik, A.[Alejandro], Martinez, F.[Fleming]
J. Chem. Eng. Data 2008, 53, 11, 2576-2580
ABSTRACT
The thermodynamic functions of Gibbs energy, enthalpy, and entropy for the solution processes of triclosan (TS) were calculated from solubility values obtained at the temperature interval from (293.15 to 313.15) K. TS solubility was determined in ethanol (EtOH), octanol (ROH), isopropyl myristate (IPM), chloroform (CLF), and heptane (HPT) as pure solvents. The excess Gibbs energy and the activity coefficients of the solutes were also calculated. The TS solubilities were higher in EtOH and CLF with respect to those obtained in ROH, IPM, and HPT. In addition, the thermodynamic quantities relative to the transfer process of this drug from HPT to the other organic solvents were also calculated to estimate the hydrogen bonding contributions.
Compounds
# Formula Name
1 C12H7Cl3O2 2,4,4'-trichloro-2'-hydroxydiphenyl ether
2 C2H6O ethanol
3 C8H18O octan-1-ol
4 C17H34O2 1-methylethyl tetradecanoate
5 CHCl3 trichloromethane
6 C7H16 heptane
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
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectra calibration curves
  • 5
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectra calibration curves
  • 5
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectra calibration curves
  • 5
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectra calibration curves
  • 5
  • POMD
  • 6
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV Spectra calibration curves
  • 5