ChemSpider 2D Image | (1Z,3E,5R,6S)-1,5,6-Trichloro-2-(dichloromethyl)-6-methyl-1,3,7-octatriene | C10H11Cl5

(1Z,3E,5R,6S)-1,5,6-Trichloro-2-(dichloromethyl)-6-methyl-1,3,7-octatriene

  • Molecular FormulaC10H11Cl5
  • Average mass308.459 Da
  • Monoisotopic mass305.930328 Da
  • ChemSpider ID57641846
  • 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,5R,6S)-1,5,6-Trichlor-2-(dichlormethyl)-6-methyl-1,3,7-octatrien [German] [ACD/IUPAC Name]
(1Z,3E,5R,6S)-1,5,6-Trichloro-2-(dichloromethyl)-6-methyl-1,3,7-octatriene [ACD/IUPAC Name]
(1Z,3E,5R,6S)-1,5,6-Trichloro-2-(dichlorométhyl)-6-méthyl-1,3,7-octatriène [French] [ACD/IUPAC Name]
1,3,7-Octatriene, 1,5,6-trichloro-2-(dichloromethyl)-6-methyl-, (1Z,3E,5R,6S)- [ACD/Index Name]
1,3,7-Octatriene, 1,5,6-trichloro-2-(dichloromethyl)-6-methyl-, [R*,S*-(Z,E)]
93752-46-6 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 409.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.6±3.0 kJ/mol
Flash Point: 204.5±26.1 °C
Index of Refraction: 1.531
Molar Refractivity: 72.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2369.17
ACD/KOC (pH 5.5): 9060.08
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2369.17
ACD/KOC (pH 7.4): 9060.08
Polar Surface Area: 0 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 233.5±3.0 cm3

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