ChemSpider 2D Image | (1R,2R,3S,5R,6R,7S,8S)-1,5,6,8,9,10,11,11-Octachloro-4-oxatetracyclo[6.2.1.0~2,7~.0~3,5~]undec-9-ene | C10H4Cl8O

(1R,2R,3S,5R,6R,7S,8S)-1,5,6,8,9,10,11,11-Octachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene

  • Molecular FormulaC10H4Cl8O
  • Average mass423.762 Da
  • Monoisotopic mass419.777039 Da
  • ChemSpider ID95636527

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,2R,3S,5R,6R,7S,8S)-1,5,6,8,9,10,11,11-Octachlor-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-en [German] [ACD/IUPAC Name]
(1R,2R,3S,5R,6R,7S,8S)-1,5,6,8,9,10,11,11-Octachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene [ACD/IUPAC Name]
(1R,2R,3S,5R,6R,7S,8S)-1,5,6,8,9,10,11,11-Octachloro-4-oxatétracyclo[6.2.1.02,7.03,5]undéc-9-ène [French] [ACD/IUPAC Name]
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-, (1aS,1bR,2R,5S,5aS,6R,6aR)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.0±0.1 g/cm3
Boiling Point: 442.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.3±3.0 kJ/mol
Flash Point: 165.1±28.8 °C
Index of Refraction: 1.670
Molar Refractivity: 80.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 4930.37
ACD/KOC (pH 5.5): 15309.31
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4930.37
ACD/KOC (pH 7.4): 15309.31
Polar Surface Area: 13 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 214.2±5.0 cm3

Click to predict properties on the Chemicalize site


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