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

Vapor Pressure of Organophosphorus Nerve Agent Simulant Compounds

Butrow, A. B.[Ann B.], Buchanan, J. H.[James H.], Tevault, D. E.[David E.]
J. Chem. Eng. Data 2009, 54, 6, 1876-1883
ABSTRACT
The vapor pressures of four lower alkyl phosphonate compounds, dimethyl phosphonate (DMHP, CAS 868-85-9), dimethyl methylphosphonate (DMMP, CAS 756-79-6), diethyl methylphosphonate (DEMP, CAS 683-08-9), and diisopropyl methylphosphonate (DIMP, CAS 1445-75-6), have been measured by complementary methods that allow data collection at ambient and high temperatures by use of gas saturation and differential scanning calorimetry, respectively. Kosolapoff (J. Chem. Soc. 1955, 2964-2965) reported vapor pressure data above 200 Pa for several of these compounds measured by use of isoteniscope, although the lowest data points were deemed to be not trustworthy by the author. Our report extends the low end of the measured data range by 2 to 3 orders of magnitude in pressure. Antoine correlations, normal boiling temperatures, temperature-dependent enthalpies of vaporization, and volatility have been derived based on the measured data reported herein. The advantages of using complementary methodology and measuring, as opposed to extrapolating, data have been demonstrated in this work.
Compounds
# Formula Name
1 C2H7O3P dimethyl phosphonate
2 C3H9O3P dimethyl methanephosphonate
3 C5H13O3P O,O-diethyl methylphosphonate
4 C7H17O3P phosphonic acid, methyl-, bis(1-methylethyl) 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
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • RATEVAP:UFactor:2
  • 19
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • RATEVAP:UFactor:2
  • 21
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • RATEVAP:UFactor:2
  • 24
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • RATEVAP:UFactor:2
  • 20