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

Vapor Pressure of Triethyl and Tri-n-Propyl Phosphates and Diethyl Malonate

Brozena, A.[Ann], Buchanan, J. H.[James H.], Miles, R. W. ,. J.[Ronald W., Jr.], Williams, B. R.[Barry R.], Hulet, M.[Melissa]
J. Chem. Eng. Data 2014, 59, 8, 2649-2659
ABSTRACT
Triethyl phosphate (TEPO, CAS No. 78-40-0), tri-n-propyl phosphate (TPPO, CAS No. 513-08-6), and diethyl malonate (DEM, CAS No. 105-53-3) are of considerable interest to the chemical defense community as nontoxic simulants for toxic chemical warfare agents. Vapor pressure data have been measured for TEPO at T = (271.25 to 480.15) K, for TPPO at T = (263.15 to 527.61) K, and for DEM at T = (265.15 to 471.25) K using a variety of standard methods that have been modified as necessary. The new data extend the range of vapor pressure data previously reported in the literature for each of the title compounds to subambient temperatures and to lower pressures by approximately 3 orders of magnitude for TEPO, 5 orders of magnitude for TPPO, and 1 order of magnitude for DEM. Vapor pressure data and derived properties, including volatility and temperature-dependent heats of vaporization are reported for TEPO, TPPO, and DEM along with comparisons to chemical warfare agent materials.
Compounds
# Formula Name
1 C6H15O4P ethyl phosphate
2 C9H21O4P tripropyl phosphate
3 C7H12O4 diethyl 1,3-propanedioate
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
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Calculated from knudsen effusion weight loss
  • 5
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Transpiration method
  • 2
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Rate of evaporation
  • 18
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Transpiration method
  • 4
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Rate of evaporation
  • 8
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Calculated from knudsen effusion weight loss
  • 14
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Rate of evaporation
  • 51