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

Solubility of Organic Biocides in Supercritical CO2 and CO2 + Cosolvent Mixtures

Sahle-Demessie, E., Pillai, U. R., Junsophonsri, S., Levien, K. L.
J. Chem. Eng. Data 2003, 48, 3, 541-547
ABSTRACT
Solubilities of four organic biocides in supercritical carbon dioxide were measured using a dynamic flow apparatus over a pressure range of (10 to 30) MPa and a temperature range of (35 to 80) C. The biocides studied were Amical-48 (diiodomethyl p-tolyl sulfone), chlorothalonil (tetrachloroisophthalonitrile), TCMTB (2-(thiocyanomethylthio) benzothiazole), and tebuconazole (-[2-(4-chlorophenyl)ethyl]-- (1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol). Data represented the effects of temperature and pressure on biocide solubility. Measured solubilities were correlated with the density of pure solvent. The effects of methanol and acetone as cosolvents on the solubility of TCMTB and tebuconazole were determined at (50 and 65) C and at selected pressures between (10 and 30) MPa. The introduction of 3 mol % acetone or methanol increased the solubilities of tebuconazole by a factor of 3 to 7. The cosolvent effect decreased with increase in pressure. At (5 to 10) mol % of cosolvent, the solubility of either biocide increased with the amount of cosolvent; however, the increase was more significant for tebuconazole than for TCMTB.
Compounds
# Formula Name
1 C16H22ClN3O tebuconazole
2 C8H8I2O2S diiodomethyl p-tolyl sulfone
3 C9H6N2S3 thiocyanic acid, (2-benzothiazolylthio)methyl ester
4 C8Cl4N2 2,4,5,6-tetrachloro-1,3-benzenedicarbonitrile
5 CO2 carbon dioxide
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
  • 5
  • 1
  • Mole fraction - 1 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 1
  • Chromatography
  • 12
  • POMD
  • 5
  • 2
  • Mole fraction - 2 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 2
  • Chromatography
  • 18
  • POMD
  • 5
  • 3
  • Mole fraction - 3 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Liquid
  • Chromatography
  • 12
  • POMD
  • 5
  • 4
  • Mole fraction - 4 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 4
  • Chromatography
  • 22