Chemical Properties of Heptachlor epoxide (CAS 66240-71-9)

Heptachlor epoxide

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InChI
InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H
InChI Key
ZXFXBSWRVIQKOD-UHFFFAOYSA-N
Formula
C10H5Cl7O
SMILES
ClC1=C(Cl)C2(Cl)C3C(Cl)C4OC4C3C1(Cl)C2(Cl)Cl
Molecular Weight1
389.32
CAS
66240-71-9
Other Names
  • 1,4,5,6,7,8,8-heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-4,7-methanoindane
  • 2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1a«alpha»,1b«beta»,2«alpha»,5«alpha»,5a«beta»,6«beta»,6a«alpha»)-
  • 2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-,(1aR,1bS,2R,5S,5aR,6S,6aR)-rel-
  • 4,7-Methanoindan, 1,4,5,6,7,8,8-heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-
  • ENT 25,584
  • Epoxyheptachlor
  • HCE
  • Heptachlore epoxide
  • Velsicol 53-CS-17
Sources

Physical Properties

Property Value Unit Source
Δf 82.18 kJ/mol Joback Calculated Property
Δfgas -195.35 kJ/mol Joback Calculated Property
Δfus 39.49 kJ/mol Joback Calculated Property
Δvap 69.47 kJ/mol Joback Calculated Property
logPoct/wat 4.45 Crippen Calculated Property
Pc 2651.56 kPa Joback Calculated Property
Tboil 731.01 K Joback Calculated Property
Tc 1003.31 K Joback Calculated Property
Tfus 594.29 K Joback Calculated Property
Vc 0.77 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 446.71 J/mol×K 731.01 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C< (ring) 3
=C< (ring) 2
-O- (ring) 1
-Cl 7
>CH- (ring) 5

Similar Compounds

Heptachlor epoxide. 4,7-Methanoindan, 3a,4,7,7a-tetrahydro-1,2-epoxy-4,5,6,7,8,8-hexachloro-. 2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,6a,7,7-octachloro-1a,1b,5,5a,6,6a-hexahydro-, (1a«alpha»,1b«beta»,2«alpha»,5«alpha»,5a«beta»,6«beta»,6a«alpha»)-. Endosulfan ether. Isobenzan. Dieldrin. Endrin. 1-Hydroxychlordene. 1,4:5,8-Dimethanonaphthalen-2-ol, 3,5,6,7,8,9,9-heptachloro-1,2,3,4,4a,5,8,8a-octahydro-, (1«alpha»,2«alpha»,3«beta»,4«alpha»,4a«beta»,5«alpha»,8«alpha»,8«beta»)-. (1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methanol. Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, dibutyl ester. Endolactone. Chlorendic anhydride. Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-. «beta»-Endosulfan.

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