Chemical Properties of 1-bromo,2,3,4,6,7,8,9-heptachloro-dibenzo-dioxin

1-bromo,2,3,4,6,7,8,9-heptachloro-dibenzo-dioxin

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InChI
InChI=1S/C12BrCl7O2/c13-1-2(14)3(15)6(18)10-9(1)21-11-7(19)4(16)5(17)8(20)12(11)22-10
InChI Key
ZSYUWOAGYRQXHH-UHFFFAOYSA-N
Formula
C12BrCl7O2
SMILES
Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Br)c1O2
Molecular Weight1
504.20
Sources

Physical Properties

Property Value Unit Source
Δf 17.81 kJ/mol Joback Calculated Property
Δfgas -181.20 kJ/mol Joback Calculated Property
Δfus 60.81 kJ/mol Joback Calculated Property
Δvap 99.68 kJ/mol Joback Calculated Property
logPoct/wat 8.92 Crippen Calculated Property
Pc 2690.21 kPa Joback Calculated Property
Tboil 966.33 K Joback Calculated Property
Tc 1246.90 K Joback Calculated Property
Tfus 751.12 K Joback Calculated Property
Vc 0.90 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 444.50 J/mol×K 966.33 Joback Calculated Property
η 0.00 Pa×s 966.33 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 12
-O- (ring) 2
-Cl 7
-Br 1

Similar Compounds

dibenzodioxin, 1-bromo-, 2,3,4,7,8-pentachloro-. Dibenzodioxin, 4-bromo-, 1,2,6,7,9-pentachloro-. Dibenzodioxin, 4-bromo-, 1,2,6,8,9-pentachloro-. 2,6-dibromo-1,4,8,9-tetrachloro-dibenzo-p-dioxin. Dibenzodioxin, 2,9-dibromo-, 1,4,6,7-tetrachloro-. 1-bromo-3,4,6,9-tetrachloro-dibenzo-p-dioxin. 3,9-dibromo-1,2,6,7-tetrachloro-dibenzo-p-dioxin. Dibenzodioxin, 3,6-dibromo-, 1,2,8,9-tetrachloro-. 1-bromo,2,3,6-trichloro-dibenzo-dioxin. 3,9-dibromo,1,2-dichloro-dibenzo-dioxin. Dibenzodioxin, 3,7,9-tribromo-, 1,2,6-trichloro-. Dibenzodioxin, 4-bromo-, 1,2,7,8-tetrachloro-. Dibenzodioxin, 1,6-dibromo-, 2,4,7,9-tetrachloro-. Dibenzodioxin, 1-bromo-, 2,4,6,8-tetrachloro-. Dibenzodioxin, 3,8-dibromo-, 1,2,6,7-tetrachloro-.

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