Chemical Properties of 1,2,4-Trichlorodibenzo-p-dioxin (CAS 39227-58-2)

1,2,4-Trichlorodibenzo-p-dioxin

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InChI
InChI=1S/C12H5Cl3O2/c13-6-5-7(14)11-12(10(6)15)17-9-4-2-1-3-8(9)16-11/h1-5H
InChI Key
HRVUKLBFRPWXPJ-UHFFFAOYSA-N
Formula
C12H5Cl3O2
SMILES
Clc1cc(Cl)c2c(c1Cl)Oc1ccccc1O2
Molecular Weight1
287.53
CAS
39227-58-2
Other Names
  • 1,2,4-Trichlorodibenzo-p-dioxin
  • 1,2,4-Trichlorodibenzo-para-dioxin
  • 1,2,4-Trichlorodibenzo[b,e] [1,4]dioxin
  • 1,2,4-Trichlorodibenzodioxin
  • Dibenzo-p-dioxin, 1,2,4-trichloro-
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 509.04 K Joback Calculated Property
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
ΔsubH 118.80 kJ/mol 342.0 NIST
ΔsubH 121.00 ± 1.80 kJ/mol 365.5 NIST

Molecular Descriptors

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

Similar Compounds

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

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