ChemSpider 2D Image | (2E,3E,5R,6S)-5,6-Dichloro-2-(chloromethylene)-6-methyl-3,7-octadienal | C10H11Cl3O

(2E,3E,5R,6S)-5,6-Dichloro-2-(chloromethylene)-6-methyl-3,7-octadienal

  • Molecular FormulaC10H11Cl3O
  • Average mass253.553 Da
  • Monoisotopic mass251.987549 Da
  • ChemSpider ID57641837
  • 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

(2E,3E,5R,6S)-5,6-Dichlor-2-(chlormethylen)-6-methyl-3,7-octadienal [German] [ACD/IUPAC Name]
(2E,3E,5R,6S)-5,6-Dichloro-2-(chloromethylene)-6-methyl-3,7-octadienal [ACD/IUPAC Name]
(2E,3E,5R,6S)-5,6-Dichloro-2-(chlorométhylène)-6-méthyl-3,7-octadiénal [French] [ACD/IUPAC Name]
3,7-Octadienal, 5,6-dichloro-2-(chloromethylene)-6-methyl-, (2E,3E,5R,6S)- [ACD/Index Name]
3,7-Octadienal, 5,6-dichloro-2-(chloromethylene)-6-methyl-, (2E,3E,5S,6R)- [ACD/Index Name]
380416-19-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 361.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.7±3.0 kJ/mol
Flash Point: 152.6±28.5 °C
Index of Refraction: 1.516
Molar Refractivity: 62.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 70.18
ACD/KOC (pH 5.5): 729.70
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.18
ACD/KOC (pH 7.4): 729.70
Polar Surface Area: 17 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 207.6±3.0 cm3

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