ChemSpider 2D Image | (2S,7S)-1,2,3,4,6,7,8,9,10,10-Decachloropentacyclo[5.3.0.0~2,6~.0~3,9~.0~4,8~]decan-5-one | C10Cl10O

(2S,7S)-1,2,3,4,6,7,8,9,10,10-Decachloropentacyclo[5.3.0.02,6.03,9.04,8]decan-5-one

  • Molecular FormulaC10Cl10O
  • Average mass490.636 Da
  • Monoisotopic mass485.683441 Da
  • ChemSpider ID32754907

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(2S,7S)-1,2,3,4,6,7,8,9,10,10-Decachloropentacyclo[5.3.0.02,6.03,9.04,8]decan-5-one [ACD/IUPAC Name]
(2S,7S)-1,2,3,4,6,7,8,9,10,10-Décachloropentacyclo[5.3.0.02,6.03,9.04,8]décan-5-one [French] [ACD/IUPAC Name]
(2S,7S)-1,2,3,4,6,7,8,9,10,10-Decachlorpentacyclo[5.3.0.02,6.03,9.04,8]decan-5-on [German] [ACD/IUPAC Name]
1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-, (1S,5bS)- [ACD/Index Name]
143-50-0 [RN]
WLN: L545 BH C5 D 4ABCE J DVTJ AG BG CG EG FG GG HG HG 1G JG
WLN:L545 BH C5 D 4ABCE J DVTJ AG BG CG EG FG GG HG HG 1G JG

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

Density: 2.3±0.1 g/cm3
Boiling Point: 459.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 193.5±29.3 °C
Index of Refraction: 1.737
Molar Refractivity: 86.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 5.37
ACD/BCF (pH 5.5): 7136.99
ACD/KOC (pH 5.5): 19949.72
ACD/LogD (pH 7.4): 5.37
ACD/BCF (pH 7.4): 7136.99
ACD/KOC (pH 7.4): 19949.72
Polar Surface Area: 17 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 79.6±5.0 dyne/cm
Molar Volume: 215.6±5.0 cm3

Click to predict properties on the Chemicalize site


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