Chemical Properties of 3,3',4,4'-Tetrabromodiphenyl ether (CAS 93703-48-1)

3,3',4,4'-Tetrabromodiphenyl ether

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InChI
InChI=1S/C12H6Br4O/c13-9-3-1-7(5-11(9)15)17-8-2-4-10(14)12(16)6-8/h1-6H
InChI Key
RYGLOWMCGZHYRQ-UHFFFAOYSA-N
Formula
C12H6Br4O
SMILES
Brc1ccc(Oc2ccc(Br)c(Br)c2)cc1Br
Molecular Weight1
485.79
CAS
93703-48-1
Other Names
  • PBDE Congener No. 77
Sources

Physical Properties

Property Value Unit Source
Δf 188.74 kJ/mol Joback Calculated Property
Δfgas 109.27 kJ/mol Joback Calculated Property
Δfus 35.69 kJ/mol Joback Calculated Property
Δvap 77.66 kJ/mol Joback Calculated Property
logPoct/wat 6.53 Crippen Calculated Property
Pc 4391.59 kPa Joback Calculated Property
Tboil 834.30 K Joback Calculated Property
Tc 1127.74 K Joback Calculated Property
Tfus 589.35 K Joback Calculated Property
Vc 0.76 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 417.90 J/mol×K 834.3 Joback Calculated Property
η 0.00 Pa×s 834.3 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2,2',4,4',5,-Penabromodiphenyl ether. 2,2',4,4',5,5'-Hexabromodiphenyl ether. Dibenzodioxin, 2,3,7-tribromo-. 2,3,7,8-tetrabromodibenzo-dioxin. P-BROMOPHENYL PHENYL ETHER. 4-Bromophenyl ether. Benzene, 1,1'-oxybis[pentabromo-. 2,4,4'-Tribromodiphenyl ether. Dibromophenyl ether. 2-bromo-dibenzo-dioxin. 2,3-dibromo-7-chlorodibenzo-p-dioxin. 1,2,8,9-tetrabromo-dibenzo-dioxin. 1,3,7-tribromo-dibenzo-dioxin. 1,3,6,8-tetrabromo-dibenzo-dioxin. 2,3,4,6-Tetrabromophenol.

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