Chemical Properties of 1-Chlorodibenzo-p-dioxin (CAS 39227-53-7)

1-Chlorodibenzo-p-dioxin

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InChI
InChI=1S/C12H7ClO2/c13-8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H
InChI Key
VGGGRWRBGXENKI-UHFFFAOYSA-N
Formula
C12H7ClO2
SMILES
Clc1cccc2c1Oc1ccccc1O2
Molecular Weight1
218.64
CAS
39227-53-7
Other Names
  • 1-Chlorodibenzo-p-dioxin
  • 1-Chlorodibenzo[b,e] [1,4]dioxin
  • 1-Chlorodibenzodioxin
  • Dibenzo-p-dioxin, 1-chloro-
Sources

Physical Properties

Property Value Unit Source
Δf 142.48 kJ/mol Joback Calculated Property
Δfgas -32.80 kJ/mol Joback Calculated Property
Δfus 33.07 kJ/mol Joback Calculated Property
Δsub 95.20 ± 1.10 kJ/mol NIST
Δvap 62.30 kJ/mol Joback Calculated Property
logPoct/wat 4.238 Crippen Calculated Property
Pc 3585.64 kPa Joback Calculated Property
Tboil 640.73 K Joback Calculated Property
Tc 899.71 K Joback Calculated Property
Tfus 378.00 ± 1.00 K NIST
Vc 0.548 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 338.40 J/mol×K 640.73 Joback Calculated Property
η 0.0005234 Pa×s 640.73 Joback Calculated Property
ΔfusH 23.20 kJ/mol 378.2 NIST
ΔsubH 98.60 kJ/mol 320.5 NIST
ΔsubH 100.50 ± 0.80 kJ/mol 325.5 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 5
-O- (ring) 2
-Cl 1
=CH- (ring) 7

Similar Compounds

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

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