ChemSpider 2D Image | (-)-gamma-HBCD | C12H18Br6

(-)-γ-HBCD

  • Molecular FormulaC12H18Br6
  • Average mass641.695 Da
  • Monoisotopic mass635.650818 Da
  • ChemSpider ID25948206

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(-)-γ-HBCD
(-)-γ-Hexabromocyclododecane
(+)-?-hexabromocyclododecane
(1R,2S,5S,6R,9S,10S)-1,2,5,6,9,10-Hexabromcyclododecan [German] [ACD/IUPAC Name]
(1R,2S,5S,6R,9S,10S)-1,2,5,6,9,10-Hexabromocyclododecane [ACD/IUPAC Name]
(1R,2S,5S,6R,9S,10S)-1,2,5,6,9,10-Hexabromocyclododécane [French] [ACD/IUPAC Name]
138257-19-9 [RN]
Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2S,5S,6R,9S,10S)- [ACD/Index Name]
(1R,2R,5S,6R,9R,10S)-1,2,5,6,9,10-Hexabromocyclododecane [ACD/IUPAC Name]
(1S,2R,5S,6S,9S,10R)-1,2,5,6,9,10-hexabromocyclododecane
More...

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

7PXE1CI5JQ [DBID]
UNII:7PXE1CI5JQ [DBID]
UNII-7PXE1CI5JQ [DBID]
UNII-A9X5ZAC15C [DBID]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 505.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 249.5±24.8 °C
Index of Refraction: 1.598
Molar Refractivity: 102.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 43530.96
ACD/KOC (pH 5.5): 72783.73
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 43530.96
ACD/KOC (pH 7.4): 72783.73
Polar Surface Area: 0 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 299.0±3.0 cm3

Click to predict properties on the Chemicalize site


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