Chemical Properties of 2,4,4'-Tribromodiphenyl ether (CAS 41318-75-6)

2,4,4'-Tribromodiphenyl ether

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InChI
InChI=1S/C12H7Br3O/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H
InChI Key
UPNBETHEXPIWQX-UHFFFAOYSA-N
Formula
C12H7Br3O
SMILES
Brc1ccc(Oc2ccc(Br)cc2Br)cc1
Molecular Weight1
406.89
CAS
41318-75-6
Other Names
  • PBDE Congener No. 28
Sources

Physical Properties

Property Value Unit Source
Δf 184.05 kJ/mol Joback Calculated Property
Δfgas 94.41 kJ/mol Joback Calculated Property
Δfus 30.79 kJ/mol Joback Calculated Property
Δvap 70.56 kJ/mol Joback Calculated Property
logPoct/wat 5.77 Crippen Calculated Property
Pc 4093.38 kPa Joback Calculated Property
Tboil 763.16 K Joback Calculated Property
Tc 1047.35 K Joback Calculated Property
Tfus 517.03 K Joback Calculated Property
Vc 0.70 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 396.04 J/mol×K 763.16 Joback Calculated Property
η 0.00 Pa×s 763.16 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< (ring) 5
-Br 3
=CH- (ring) 7

Similar Compounds

Dibromophenyl ether. 2,2',4,4',5,5'-Hexabromodiphenyl ether. 2,2',4,4',5,-Penabromodiphenyl ether. Benzene, 1,1'-oxybis[pentabromo-. 3,3',4,4'-Tetrabromodiphenyl ether. 1,3,7-tribromo-dibenzo-dioxin. 1,3,6,8-tetrabromo-dibenzo-dioxin. 4-Bromophenyl ether. P-BROMOPHENYL PHENYL ETHER. Phenol, 2,4-dibromo-. Phenol, 2,4,6-tribromo-. 1,2,3,7,8-pentabromodibenzodioxin. 1,2,4,7,9-pentabromo-dibenzo-dioxin. 1,2,3,4,6,7,8-heptabromo-dibenzo-dioxin. 1,2,3,4,6,7,9-heptabromo-dibenzo-dioxin.

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