Chemical Properties of Octachlorodibenzo-p-dioxin (CAS 3268-87-9)

Octachlorodibenzo-p-dioxin

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InChI
InChI=1S/C12Cl8O2/c13-1-2(14)6(18)10-9(5(1)17)21-11-7(19)3(15)4(16)8(20)12(11)22-10
InChI Key
FOIBFBMSLDGNHL-UHFFFAOYSA-N
Formula
C12Cl8O2
SMILES
Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2
Molecular Weight1
459.75
CAS
3268-87-9
Other Names
  • 1,2,3,4,6,7,8,9-Octachlorodibenzo-p-dioxin
  • 1,2,3,4,6,7,8,9-Octachlorodibenzo[1,4]dioxin
  • 1,2,3,4,6,7,8,9-Octachlorodibenzodioxin
  • 1,2,3,4,6,7,8,9-Octachorodibenzo-p-dioxin
  • Dibenzo-p-dioxin, 1,2,3,4,6,7,8,9-octachloro-
  • Dibenzo-p-dioxin, octachloro-
  • Dibenzo[b,e][1,4]dioxin, octachloro-
  • NCI-C03678
  • NSC 37651
  • OCDD
  • Octachloro-p-dibenzodioxin
  • Octachlorodibenzo(b,e)(1,4)dioxin
  • Octachlorodibenzodioxin
Sources

Physical Properties

Property Value Unit Source
Δf -8.44 kJ/mol Joback Calculated Property
Δfgas -223.27 kJ/mol Joback Calculated Property
Δfus 59.73 kJ/mol Joback Calculated Property
Δvap 97.63 kJ/mol Joback Calculated Property
logPoct/wat 8.81 Crippen Calculated Property
Pc 2417.12 kPa Joback Calculated Property
Tboil 937.60 K Joback Calculated Property
Tc 1211.63 K Joback Calculated Property
Tfus 721.24 K Joback Calculated Property
Vc 0.89 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 440.63 J/mol×K 937.6 Joback Calculated Property
η 0.00 Pa×s 937.6 Joback Calculated Property
ΔsubH 145.70 ± 4.00 kJ/mol 478.0 NIST
ΔsubH 149.80 kJ/mol 483.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 12
-O- (ring) 2
-Cl 8

Similar Compounds

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