ChemSpider 2D Image | Methyl (2E,4E,6E)-9-(3-chloro-4-methoxy-2,6-dimethylphenyl)-3,7-dimethyl-2,4,6-nonatrienoate | C21H27ClO3

Methyl (2E,4E,6E)-9-(3-chloro-4-methoxy-2,6-dimethylphenyl)-3,7-dimethyl-2,4,6-nonatrienoate

  • Molecular FormulaC21H27ClO3
  • Average mass362.890 Da
  • Monoisotopic mass362.164886 Da
  • ChemSpider ID34244304

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E,6E)-9-(3-Chloro-4-méthoxy-2,6-diméthylphényl)-3,7-diméthyl-2,4,6-nonatriénoate de méthyle [French] [ACD/IUPAC Name]
2,4,6-Nonatrienoic acid, 9-(3-chloro-4-methoxy-2,6-dimethylphenyl)-3,7-dimethyl-, methyl ester, (2E,4E,6E)- [ACD/Index Name]
Methyl (2E,4E,6E)-9-(3-chloro-4-methoxy-2,6-dimethylphenyl)-3,7-dimethyl-2,4,6-nonatrienoate [ACD/IUPAC Name]
Methyl-(2E,4E,6E)-9-(3-chlor-4-methoxy-2,6-dimethylphenyl)-3,7-dimethyl-2,4,6-nonatrienoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 492.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 166.8±27.7 °C
Index of Refraction: 1.530
Molar Refractivity: 105.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.87
ACD/LogD (pH 5.5): 6.52
ACD/BCF (pH 5.5): 53287.98
ACD/KOC (pH 5.5): 84120.71
ACD/LogD (pH 7.4): 6.52
ACD/BCF (pH 7.4): 53287.98
ACD/KOC (pH 7.4): 84120.71
Polar Surface Area: 36 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 339.8±3.0 cm3

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