ChemSpider 2D Image | MFCD16660998 | C12H8Cl6O

MFCD16660998

  • Molecular FormulaC12H8Cl6O
  • Average mass380.909 Da
  • Monoisotopic mass377.870636 Da
  • ChemSpider ID57426878

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,3R,4R,5R,7S,9S,10R,11S,12S)-1,2,2,3,10,11-Hexachloropentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-one [ACD/IUPAC Name]
(1S,3R,4R,5R,7S,9S,10R,11S,12S)-1,2,2,3,10,11-Hexachloropentacyclo[5.4.1.03,10.04,12.05,9]dodécan-8-one [French] [ACD/IUPAC Name]
(1S,3R,4R,5R,7S,9S,10R,11S,12S)-1,2,2,3,10,11-Hexachlorpentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-on [German] [ACD/IUPAC Name]
2,5,7-Metheno-3H-cyclopenta[a]pentalen-3-one, 3b,4,5,6,6,6a-hexachlorodecahydro-, (2S,3aS,3bR,4S,5S,6aR,7R,7aR,8S)- [ACD/Index Name]
200-835-2 [EINECS]
3b,4,5,6,6,6a-Hexachlorodecahydro-2,5,7-metheno-3H-cyclopenta[a]pentalen-3-one
53494-70-5 [RN]
Endrin ketone
MFCD16660998
Endrin-ketonemissing

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

Density: 1.9±0.1 g/cm3
Boiling Point: 457.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 192.6±29.3 °C
Index of Refraction: 1.672
Molar Refractivity: 76.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 204.86
ACD/KOC (pH 5.5): 1570.89
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 204.86
ACD/KOC (pH 7.4): 1570.89
Polar Surface Area: 17 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 204.2±5.0 cm3

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