ChemSpider 2D Image | (1R,2R,5R,6S,9R,10S)-1,2,5,6,9,10-Hexabromo(~2~H_18_)cyclododecane | C12D18Br6

(1R,2R,5R,6S,9R,10S)-1,2,5,6,9,10-Hexabromo(2H18)cyclododecane

  • Molecular FormulaC12D18Br6
  • Average mass659.806 Da
  • Monoisotopic mass653.763794 Da
  • ChemSpider ID107450672

  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,2R,5R,6S,9R,10S)-1,2,5,6,9,10-Hexabrom(2H18)cyclododecan [German] [ACD/IUPAC Name]
(1R,2R,5R,6S,9R,10S)-1,2,5,6,9,10-Hexabromo(2H18)cyclododecane [ACD/IUPAC Name]
(1R,2R,5R,6S,9R,10S)-1,2,5,6,9,10-Hexabromo(2H18)cyclododécane [French] [ACD/IUPAC Name]
Cyclododecane-1,1,2,2,3,4,5,5,6,6,7,8,9,9,10,10,11,12-d18, 3,4,7,8,11,12-hexabromo-, (3R,4R,7R,8S,11R,12S)- [ACD/Index Name]

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

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