ChemSpider 2D Image | (1R,2S,3R,4R,5R,6S)-1,2,3,4,5,6-Hexabromocyclododecane | C12H18Br6

(1R,2S,3R,4R,5R,6S)-1,2,3,4,5,6-Hexabromocyclododecane

  • Molecular FormulaC12H18Br6
  • Average mass641.695 Da
  • Monoisotopic mass635.650818 Da
  • ChemSpider ID34985406

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2S,3R,4R,5R,6S)-1,2,3,4,5,6-Hexabromcyclododecan [German] [ACD/IUPAC Name]
(1R,2S,3R,4R,5R,6S)-1,2,3,4,5,6-Hexabromocyclododecane [ACD/IUPAC Name]
(1R,2S,3R,4R,5R,6S)-1,2,3,4,5,6-Hexabromocyclododécane [French] [ACD/IUPAC Name]
Cyclododecane, 1,2,3,4,5,6-hexabromo-, (1R,2S,3R,4R,5R,6S)- [ACD/Index Name]
(1S,2R,5S,6S,9S,10R)-1,2,5,6,9,10-hexabromocyclododecane
1,2,3,4,5,6-HEXABROMOCYCLODECANE
1027045-74-4 [RN]
247-148-4 [EINECS]
25637-99-4 [RN]
HEXABROMOCYCLODODECANE (MIXED ISOMERS)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.1±0.1 g/cm3
Boiling Point: 480.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 235.5±23.5 °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: 7.65
ACD/LogD (pH 5.5): 6.77
ACD/BCF (pH 5.5): 82394.34
ACD/KOC (pH 5.5): 114915.61
ACD/LogD (pH 7.4): 6.77
ACD/BCF (pH 7.4): 82394.34
ACD/KOC (pH 7.4): 114915.61
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

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