ChemSpider 2D Image | (3E,5R,6S)-5,6-Dichloro-2-(dichloromethyl)-6-methyl-1,3,7-octatriene | C10H12Cl4

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

  • Molecular FormulaC10H12Cl4
  • Average mass274.014 Da
  • Monoisotopic mass271.969299 Da
  • ChemSpider ID57641834
  • 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

(3E,5R,6S)-5,6-Dichlor-2-(dichlormethyl)-6-methyl-1,3,7-octatrien [German] [ACD/IUPAC Name]
(3E,5R,6S)-5,6-Dichloro-2-(dichloromethyl)-6-methyl-1,3,7-octatriene [ACD/IUPAC Name]
(3E,5R,6S)-5,6-Dichloro-2-(dichlorométhyl)-6-méthyl-1,3,7-octatriène [French] [ACD/IUPAC Name]
1,3,7-Octatriene, 5,6-dichloro-2-(dichloromethyl)-6-methyl-, (3E,5R,6S)- [ACD/Index Name]
1,3,7-Octatriene, 5,6-dichloro-2-(dichloromethyl)-6-methyl-, [R*,S*-(E)]-(-)- (9CI)
57804-28-1 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 367.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.9±3.0 kJ/mol
Flash Point: 176.5±25.3 °C
Index of Refraction: 1.511
Molar Refractivity: 67.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1335.67
ACD/KOC (pH 5.5): 6011.38
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1335.67
ACD/KOC (pH 7.4): 6011.38
Polar Surface Area: 0 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 32.8±3.0 dyne/cm
Molar Volume: 223.5±3.0 cm3

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