ChemSpider 2D Image | (1E,3R,4R,5E,7S)-1,8-Dibromo-3,4,7-trichloro-3,7-dimethyl-1,5-octadiene | C10H13Br2Cl3

(1E,3R,4R,5E,7S)-1,8-Dibromo-3,4,7-trichloro-3,7-dimethyl-1,5-octadiene

  • Molecular FormulaC10H13Br2Cl3
  • Average mass399.377 Da
  • Monoisotopic mass395.844940 Da
  • ChemSpider ID30797265
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1E,3R,4R,5E,7S)-1,8-Dibrom-3,4,7-trichlor-3,7-dimethyl-1,5-octadien [German] [ACD/IUPAC Name]
(1E,3R,4R,5E,7S)-1,8-Dibromo-3,4,7-trichloro-3,7-dimethyl-1,5-octadiene [ACD/IUPAC Name]
(1E,3R,4R,5E,7S)-1,8-Dibromo-3,4,7-trichloro-3,7-diméthyl-1,5-octadiène [French] [ACD/IUPAC Name]
1,5-Octadiene, 1,8-dibromo-3,4,7-trichloro-3,7-dimethyl-, (1E,3R,4R,5E,7S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 393.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 61.8±3.0 kJ/mol
Flash Point: 227.6±18.0 °C
Index of Refraction: 1.562
Molar Refractivity: 78.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3435.92
ACD/KOC (pH 5.5): 11822.07
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3435.92
ACD/KOC (pH 7.4): 11822.07
Polar Surface Area: 0 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 241.8±3.0 cm3

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