ChemSpider 2D Image | (3aS,9aS)-5,6,7,8-Tetrachloro-3a,9a-dihydro-1H-benzo[b]cyclopenta[e][1,4]dioxine | C11H6Cl4O2

(3aS,9aS)-5,6,7,8-Tetrachloro-3a,9a-dihydro-1H-benzo[b]cyclopenta[e][1,4]dioxine

  • Molecular FormulaC11H6Cl4O2
  • Average mass311.976 Da
  • Monoisotopic mass309.912201 Da
  • ChemSpider ID62293132
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3aS,9aS)-5,6,7,8-Tetrachlor-3a,9a-dihydro-1H-benzo[b]cyclopenta[e][1,4]dioxin [German] [ACD/IUPAC Name]
(3aS,9aS)-5,6,7,8-Tetrachloro-3a,9a-dihydro-1H-benzo[b]cyclopenta[e][1,4]dioxine [ACD/IUPAC Name]
(3aS,9aS)-5,6,7,8-Tétrachloro-3a,9a-dihydro-1H-benzo[b]cyclopenta[e][1,4]dioxine [French] [ACD/IUPAC Name]
1H-Benzo[b]cyclopenta[e][1,4]dioxin, 5,6,7,8-tetrachloro-3a,9a-dihydro-, (3aS,9aS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 400.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.6±3.0 kJ/mol
Flash Point: 158.0±28.8 °C
Index of Refraction: 1.621
Molar Refractivity: 68.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11496.05
ACD/KOC (pH 5.5): 28062.71
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11496.05
ACD/KOC (pH 7.4): 28062.71
Polar Surface Area: 18 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 193.7±3.0 cm3

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