Chemical Properties of 2,2',4,4',5,5'-Hexabromodiphenyl ether (CAS 68631-49-2)

2,2',4,4',5,5'-Hexabromodiphenyl ether

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C12H4Br6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H
InChI Key
RZXIRSKYBISPGF-UHFFFAOYSA-N
Formula
C12H4Br6O
SMILES
Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)cc1Br
Molecular Weight1
643.58
CAS
68631-49-2
Other Names
  • BDE-153
Sources

Physical Properties

Property Value Unit Source
Δf 198.12 kJ/mol Joback Calculated Property
Δfgas 138.99 kJ/mol Joback Calculated Property
Δfus 45.48 kJ/mol Joback Calculated Property
Δvap 91.85 kJ/mol Joback Calculated Property
logPoct/wat 8.05 Crippen Calculated Property
Pc 5094.76 kPa Joback Calculated Property
Tboil 976.58 K Joback Calculated Property
Tc 1285.26 K Joback Calculated Property
Tfus 733.99 K Joback Calculated Property
Vc 0.88 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 452.95 J/mol×K 976.58 Joback Calculated Property
η 0.00 Pa×s 976.58 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< (ring) 8
-Br 6
=CH- (ring) 4

Similar Compounds

2,2',4,4',5,-Penabromodiphenyl ether. Benzene, 1,1'-oxybis[pentabromo-. Dibromophenyl ether. 2,4,4'-Tribromodiphenyl ether. 3,3',4,4'-Tetrabromodiphenyl ether. 1,2,4,7,9-pentabromo-dibenzo-dioxin. octabromodibenzodioxin. 1,2,3,4,6,7,8-heptabromo-dibenzo-dioxin. 1,2,3,4,6,7,9-heptabromo-dibenzo-dioxin. 1,3,6,8-tetrabromo-dibenzo-dioxin. 1,3,7-tribromo-dibenzo-dioxin. 1,2,3,7,8-pentabromodibenzodioxin. 1,2,8,9-tetrabromo-dibenzo-dioxin. 2,3,4,6-Tetrabromophenol. Pentabromophenol.

Find more compounds similar to 2,2',4,4',5,5'-Hexabromodiphenyl ether.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.