ChemSpider 2D Image | (1Z,3E,5S,6S,7Z)-1,8-Dibromo-5,6-dichloro-2,6-dimethyl-1,3,7-octatriene | C10H12Br2Cl2

(1Z,3E,5S,6S,7Z)-1,8-Dibromo-5,6-dichloro-2,6-dimethyl-1,3,7-octatriene

  • Molecular FormulaC10H12Br2Cl2
  • Average mass362.916 Da
  • Monoisotopic mass359.868256 Da
  • ChemSpider ID57641844
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1Z,3E,5S,6S,7Z)-1,8-Dibrom-5,6-dichlor-2,6-dimethyl-1,3,7-octatrien [German] [ACD/IUPAC Name]
(1Z,3E,5S,6S,7Z)-1,8-Dibromo-5,6-dichloro-2,6-dimethyl-1,3,7-octatriene [ACD/IUPAC Name]
(1Z,3E,5S,6S,7Z)-1,8-Dibromo-5,6-dichloro-2,6-diméthyl-1,3,7-octatriène [French] [ACD/IUPAC Name]
1,3,7-Octatriene, 1,8-dibromo-5,6-dichloro-2,6-dimethyl-, (1Z,3E,5S,6S,7Z)- [ACD/Index Name]
1,3,7-Octatriene, 1,8-dibromo-5,6-dichloro-2,6-dimethyl-, (1Z,3E,5R,6R,7E)
1309658-71-6 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 357.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 57.9±3.0 kJ/mol
Flash Point: 205.3±18.0 °C
Index of Refraction: 1.570
Molar Refractivity: 73.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2630.06
ACD/KOC (pH 5.5): 9763.54
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2630.06
ACD/KOC (pH 7.4): 9763.54
Polar Surface Area: 0 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 223.8±3.0 cm3

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