Chemical Properties of 1,3,7-Trichlorodibenzo-p-dioxin (CAS 67028-17-5)

1,3,7-Trichlorodibenzo-p-dioxin

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InChI
InChI=1S/C12H5Cl3O2/c13-6-1-2-9-10(4-6)16-11-5-7(14)3-8(15)12(11)17-9/h1-5H
InChI Key
RPKWIXFZKMDPMH-UHFFFAOYSA-N
Formula
C12H5Cl3O2
SMILES
Clc1ccc2c(c1)Oc1cc(Cl)cc(Cl)c1O2
Molecular Weight1
287.53
CAS
67028-17-5
Other Names
  • 1,3,7-Trichlorodibenzo[b,e] [1,4]dioxin
Sources

Physical Properties

Property Value Unit Source
Δf 99.36 kJ/mol Joback Calculated Property
Δfgas -87.22 kJ/mol Joback Calculated Property
Δfus 40.69 kJ/mol Joback Calculated Property
Δvap 72.39 kJ/mol Joback Calculated Property
logPoct/wat 5.54 Crippen Calculated Property
Pc 3177.55 kPa Joback Calculated Property
Tboil 725.55 K Joback Calculated Property
Tc 990.47 K Joback Calculated Property
Tfus 421.70 ± 0.10 K NIST
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 374.96 J/mol×K 725.55 Joback Calculated Property
η 0.00 Pa×s 725.55 Joback Calculated Property
ΔfusH 30.80 kJ/mol 421.7 NIST
ΔsubH 116.20 kJ/mol 341.5 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 7
-O- (ring) 2
-Cl 3
=CH- (ring) 5

Similar Compounds

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

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