Chemical Properties of Dibenzo-p-dioxin, 1,2,3,4,6,7,9-heptachloro- (CAS 58200-70-7)

Dibenzo-p-dioxin, 1,2,3,4,6,7,9-heptachloro-

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InChI
InChI=1S/C12HCl7O2/c13-2-1-3(14)9-10(4(2)15)21-12-8(19)6(17)5(16)7(18)11(12)20-9/h1H
InChI Key
KTJJIBIRZGQFQZ-UHFFFAOYSA-N
Formula
C12HCl7O2
SMILES
Clc1cc(Cl)c2c(c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2
Molecular Weight1
425.31
CAS
58200-70-7
Other Names
  • 1,2,3,4,6,7,9-Heptachlorodibenzo[b,e] [1,4]dioxin
  • 1,2,3,4,6,7,9-Heptachlorodibenzodioxin
Sources

Physical Properties

Property Value Unit Source
Δf 13.12 kJ/mol Joback Calculated Property
Δfgas -196.06 kJ/mol Joback Calculated Property
Δfus 55.92 kJ/mol Joback Calculated Property
Δvap 92.58 kJ/mol Joback Calculated Property
logPoct/wat 8.16 Crippen Calculated Property
Pc 2545.61 kPa Joback Calculated Property
Tboil 895.19 K Joback Calculated Property
Tc 1167.63 K Joback Calculated Property
Tfus 678.80 K Joback Calculated Property
Vc 0.84 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 429.71 J/mol×K 895.19 Joback Calculated Property
η 0.00 Pa×s 895.19 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Octachlorodibenzo-p-dioxin. Dibenzo-p-dioxin, 1,2,3,4,6,8-hexachloro. Dibenzo-p-dioxin, 1,2,3,4,6,7-hexachloro. Dibenzo-p-dioxin, 1,2,3,4,6,9-hexachloro. Dibenzo-p-dioxin, 1,2,3,4,6,7,8-heptachloro. Dibenzo[b,e][1,4]dioxin, 1,2,3,4-tetrachloro-. 1,2,3,4,7,8-Hexachlorodibenzodioxin. Dibenzo-p-dioxin, 1,2,3,6,9-pentachloro. Dibenzo-p-dioxin, 1,2,4,6,7-pentachloro. Dibenzo-p-dioxin, 1,2,4,6,8-pentachloro. Dibenzo-p-dioxin, 1,2,4,6,8,9-hexachloro. Dibenzo-p-dioxin, 1,2,4,7,9-pentachloro. Dibenzo-p-dioxin, 1,2,3,8,9-pentachloro. 1,2,3,7,8,9-Hexachlorodibenzo-p-dioxin. 1,2,4-Trichlorodibenzo-p-dioxin.

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