Chemical Properties of Dibenzo-p-dioxin, 1,2,3,6,9-pentachloro

Dibenzo-p-dioxin, 1,2,3,6,9-pentachloro

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InChI
InChI=1S/C12H3Cl5O2/c13-4-1-2-5(14)11-10(4)18-7-3-6(15)8(16)9(17)12(7)19-11/h1-3H
InChI Key
NWKWRHSKKNELND-UHFFFAOYSA-N
Formula
C12H3Cl5O2
SMILES
Clc1ccc(Cl)c2c1Oc1cc(Cl)c(Cl)c(Cl)c1O2
Molecular Weight1
356.42
Sources

Physical Properties

Property Value Unit Source
Δf 56.24 kJ/mol Joback Calculated Property
Δfgas -141.64 kJ/mol Joback Calculated Property
Δfus 48.30 kJ/mol Joback Calculated Property
Δvap 82.49 kJ/mol Joback Calculated Property
logPoct/wat 6.85 Crippen Calculated Property
Pc 2835.36 kPa Joback Calculated Property
Tboil 810.37 K Joback Calculated Property
Tc 1079.48 K Joback Calculated Property
Tfus 593.92 K Joback Calculated Property
Vc 0.74 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 404.85 J/mol×K 810.37 Joback Calculated Property
η 0.00 Pa×s 810.37 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 9
-O- (ring) 2
-Cl 5
=CH- (ring) 3

Similar Compounds

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

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