ChemSpider 2D Image | (1Z,3E,5S,6S,7Z)-8-Bromo-1,5,6-trichloro-2-(dichloromethyl)-6-methyl-1,3,7-octatriene | C10H10BrCl5

(1Z,3E,5S,6S,7Z)-8-Bromo-1,5,6-trichloro-2-(dichloromethyl)-6-methyl-1,3,7-octatriene

  • Molecular FormulaC10H10BrCl5
  • Average mass387.355 Da
  • Monoisotopic mass383.840851 Da
  • ChemSpider ID57641842
  • 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)-8-Brom-1,5,6-trichlor-2-(dichlormethyl)-6-methyl-1,3,7-octatrien [German] [ACD/IUPAC Name]
(1Z,3E,5S,6S,7Z)-8-Bromo-1,5,6-trichloro-2-(dichloromethyl)-6-methyl-1,3,7-octatriene [ACD/IUPAC Name]
(1Z,3E,5S,6S,7Z)-8-Bromo-1,5,6-trichloro-2-(dichlorométhyl)-6-méthyl-1,3,7-octatriène [French] [ACD/IUPAC Name]
1,3,7-Octatriene, 8-bromo-1,5,6-trichloro-2-(dichloromethyl)-6-methyl-, (1Z,3E,5S,6S,7Z)- [ACD/Index Name]
1,3,7-Octatriene, 8-bromo-1,5,6-trichloro-2-(dichloromethyl)-6-methyl-, (1Z,3E,5R,6S,7E)
1309658-69-2 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 455.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 252.3±18.8 °C
Index of Refraction: 1.568
Molar Refractivity: 80.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 7015.21
ACD/KOC (pH 5.5): 19705.46
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 7015.21
ACD/KOC (pH 7.4): 19705.46
Polar Surface Area: 0 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 245.2±3.0 cm3

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