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

Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures

Kuramochi, H.[Hidetoshi], Takigami, H.[Hidetaka], Scheringer, M.[Martin], Sakai, S.-i.[Shin-ichi]
J. Chem. Eng. Data 2014, 59, 1, 8-15
ABSTRACT
Vapor pressures (pi) of selected brominated flame retardants (BFRs), such as three polybrominated diphenyl ethers, PBDEs, 2,2',4,4'-tetrabromodiphenyl ether (BDE-47), 2,2',4,4',5-pentabromodiphenyl ether (BDE-99), and 2,2',4,4',5,5'-hexabromodiphenyl ether (BDE-153), and two non-PBDE BFRs, hexabromobenzene (HBB) and 1,2-bis(2,4,6-tribromophenoxy)ethane (BTBPE) in the temperature range of (313 to 423) K, were measured by the gas saturation method. The standard uncertainties of temperature and vapor pressure measurements were estimated to be within +- 0.08 K and typically ca. +- 3.9 %, respectively. The temperature dependence of pi, namely, enthalpy of sublimation (?subH), was determined by fitting the experimental data with the Clausius Clapeyron equation. From the equation and our previous works on water solubility, pi and Henry s law constant at 298 K for those BFRs were predicted. On the basis of these results, the environmental partitioning characteristics were also discussed.
Compounds
# Formula Name
1 C12H6Br4O 2,2',4,4'-tetrabromodiphenyl ether
2 C12H5Br5O 2,2',4,4',5-pentabromodiphenyl ether
3 C12H4Br6O 2,2',4,4',5,5'-hexabromodiphenyl ether
4 C6Br6 hexabromobenzene
5 C14H8Br6O2 1,2-bis(2,4,6-tribromophenoxy)ethane
6 C14H10 anthracene
7 C16H10 pyrene
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 ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Transpiration method
  • 5
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Transpiration method
  • 1
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Transpiration method
  • 4
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Transpiration method
  • 2
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Transpiration method
  • 6
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Transpiration method
  • 6
  • POMD
  • 5
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 5
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 5
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Transpiration method
  • 6
  • POMD
  • 6
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Transpiration method
  • 5
  • POMD
  • 7
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Transpiration method
  • 6