Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

High-pressure phase behavior of propyl lactate and butyl lactate in supercritical carbon dioxide

Cho, D.-W.[Dong-Woo], Shin, J.[Jungin], Shin, M. S.[Moon Sam], Bae, W.[Won], Kim, H.[Hwayong]
J. Chem. Thermodyn. 2012, 47, 177-182
ABSTRACT
Lactate esters synthesized with lactic acid and ester are used as solvents and reactants in various industries, including agricultural chemistry, pharmaceuticals, electronics, and fine chemicals. Among lactate esters, high purity propyl lactate and butyl lactate are used to produce fine chemicals and in the synthesis of chiral intermediates for use in pesticides and drugs. However, distillation for the removal of propyl lactate and butyl lactate alters or degenerates products due the high boiling points of these two lactate esters. This problem can be solved by supercritical fluid extraction (SCFE) at lower temperatures. SCFE process requires high-pressure phase behavior data on CO2 and lactates for its design and operation. In this study, high-pressure phase behavior of propyl lactate and butyl lactate in CO2 was measured from (323.2 to 363.2) K using a variable-volume view cell apparatus. Experimental data were well correlated by the Peng-Robinson equation of state using the van der Waals one-fluid mixing rules. The critical constants were estimated by the Joback method, the Constantinou-Gani method, and the Nannoolal-Rarey method. Acentric factor was estimated by the Lee-Kesler method.
Compounds
# Formula Name
1 C6H12O3 propyl 2-hydroxypropanoate
2 C7H14O3 butyl 2-hydroxypropanoate
3 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
  • 3
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 45
  • POMD
  • 3
  • 1
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Gas
  • Mole fraction - 3; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 15
  • POMD
  • 3
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 61
  • POMD
  • 3
  • 2
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Gas
  • Mole fraction - 3; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 16