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

Solubility of (S)-Boc-Piperazine and Racemic Boc-Piperazine in Supercritical Carbon Dioxide

Uchida, H.[Hirohisa], Usui, I.[Izumi], Fuchita, A.[Asami], Matsuoka, M.[Masakuni]
J. Chem. Eng. Data 2004, 49, 6, 1560-1564
ABSTRACT
The solubility of (S)-Boc-piperazine ((S)-3-[[(1,1-dimethylethyl)amino] carbonyl]-1-piperazinecarboxylic acid 1,1-dimethylethyl ester) and the racemic compound of (S)- and (R)-Boc-piperazines in supercritical carbon dioxide was measured in the pressure range from (9 to 20) MPa and at temperatures (308.2, 318.2, and 328.2) K using a flow-type apparatus. The experimental solubilities of (S)-Boc-piperazine and the racemic compound at the present conditions were in the range of (2 ? 10-4 to 7 ? 10-3 and 4 ? 10-5 to 6 ? 10-4) in mole fraction, respectively. The solubilities were correlated by the Soave-Redlich-Kwong (SRK) equation of state with two binary interaction parameters. The present model gave a good correlation of all the experimental solubility data. The two binary interaction parameters were correlated by linear functions of temperature.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C14H27N3O3 (R,S)-3-[[(1,1-dimethylethyl)amino]carbonyl]-1-piperazinecarboxylic acid 1,1-dimethylethyl ester
3 C14H27N3O3 (S)-3-[[(1,1-dimethylethyl)amino]carbonyl]-1-piperazinecarboxylic acid 1,1-dimethylethyl ester
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
  • 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)
  • Crystal - 3
  • OTHER
  • 21
  • POMD
  • 1
  • 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
  • OTHER
  • 19