Chemical Properties of 1,3,7,9-Tetrachlorodibenzo-p-dioxin (CAS 62470-53-5)

1,3,7,9-Tetrachlorodibenzo-p-dioxin

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InChI
InChI=1S/C12H4Cl4O2/c13-5-1-7(15)11-9(3-5)17-10-4-6(14)2-8(16)12(10)18-11/h1-4H
InChI Key
JMGYHLJVDHUACM-UHFFFAOYSA-N
Formula
C12H4Cl4O2
SMILES
Clc1cc(Cl)c2c(c1)Oc1cc(Cl)cc(Cl)c1O2
Molecular Weight1
321.97
CAS
62470-53-5
Other Names
  • 1,3,7,9-Tetrachlorodibenzo[b,e] [1,4]dioxin
  • 1,3,7,9-tetrachlorodibenzodioxin
  • Dibenzo-p-dioxin, 1,3,7,9-tetrachloro
Sources

Physical Properties

Property Value Unit Source
Δf 77.80 kJ/mol Joback Calculated Property
Δfgas -114.43 kJ/mol Joback Calculated Property
Δfus 44.49 kJ/mol Joback Calculated Property
Δvap 77.44 kJ/mol Joback Calculated Property
logPoct/wat 6.198 Crippen Calculated Property
Pc 2999.15 kPa Joback Calculated Property
Tboil 767.96 K Joback Calculated Property
Tc 1035.13 K Joback Calculated Property
Tfus 551.48 K Joback Calculated Property
Vc 0.696 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 390.63 J/mol×K 767.96 Joback Calculated Property
η 0.0004575 Pa×s 767.96 Joback Calculated Property
ΔsubH 123.60 ± 1.50 kJ/mol 395.5 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 8
-O- (ring) 2
-Cl 4
=CH- (ring) 4

Similar Compounds

Dibenzo-p-dioxin, 1,3,9-trichloro. 1,3,7-Trichlorodibenzo-p-dioxin. Dibenzo-p-dioxin, 1,3,8-trichloro. Dibenzo-p-dioxin, 1,3,6-trichloro. Dibenzo-p-dioxin, 1,3-dichloro-. Dibenzo[b,e][1,4]dioxin, 1,3,6,8-tetrachloro-. 1,3,6,9-tetrachloro dibenzo-p-dioxin. 1,3,7,8-Tetrachlorodibenzo-p-dioxin. Dibenzo-p-dioxin, 1,7-dichloro. Dibenzo-p-dioxin, 1,8-dichloro. 1,2,6,8-tetrachloro dibenzo-p-dioxin. Dibenzo-p-dioxin, 1,4,8-trichloro. 1,2,3,7,8,9-Hexachlorodibenzo-p-dioxin. Dibenzo-p-dioxin, 1,2,3,8,9-pentachloro. Dibenzo-p-dioxin, 1,7,8-trichloro.

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