Chemical Properties of 1,2,3,4,6,7,8-heptabromo-dibenzo-dioxin

1,2,3,4,6,7,8-heptabromo-dibenzo-dioxin

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InChI
InChI=1S/C12HBr7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H
InChI Key
FPCROEVBHPWKPI-UHFFFAOYSA-N
Formula
C12HBr7O2
SMILES
Brc1cc2c(c(Br)c1Br)Oc1c(Br)c(Br)c(Br)c(Br)c1O2
Molecular Weight1
736.46
Sources

Physical Properties

Property Value Unit Source
Δf 196.87 kJ/mol Joback Calculated Property
Δfgas 98.43 kJ/mol Joback Calculated Property
Δfus 63.53 kJ/mol Joback Calculated Property
Δvap 106.93 kJ/mol Joback Calculated Property
logPoct/wat 8.92 Crippen Calculated Property
Pc 6503.64 kPa Joback Calculated Property
Tboil 1096.30 K Joback Calculated Property
Tc 1414.46 K Joback Calculated Property
Tfus 887.96 K Joback Calculated Property
Vc 0.93 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 463.44 J/mol×K 1096.3 Joback Calculated Property
η 0.00 Pa×s 1096.3 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 11
-O- (ring) 2
-Br 7
=CH- (ring) 1

Similar Compounds

octabromodibenzodioxin. 1,2,3,4,6,7,9-heptabromo-dibenzo-dioxin. 1,2,4,7,9-pentabromo-dibenzo-dioxin. 1,2,3,7,8-pentabromodibenzodioxin. 1,2,8,9-tetrabromo-dibenzo-dioxin. 1,3,6,8-tetrabromo-dibenzo-dioxin. 1,3,7-tribromo-dibenzo-dioxin. Dibenzodioxin, 1,2,4-tribromo-, 7,8-dichloro-. 1-bromo-dibenzo-dioxin. Benzene, 1,1'-oxybis[pentabromo-. 1,2,4-tribromo,3-chloro-dibenzo-dioxin. Dibenzodioxin, 1,2,8,9-tetrabromo-, 3,7-dichloro-. 1,2,9-tribromo-3,7-dichloro-dibenzo-p-dioxin. Dibenzodioxin, 1,2,6-tribromo-, 3,8-dichloro-. Dibenzodioxin, 1,2,6,7-tetrabromo-, 3,8-dichloro-.

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