ChemSpider 2D Image | Methyl (2E,6E,8E)-9-(3-chloro-2,4,6-trimethylphenyl)-3,7-dimethyl-2,6,8-nonatrienoate | C21H27ClO2

Methyl (2E,6E,8E)-9-(3-chloro-2,4,6-trimethylphenyl)-3,7-dimethyl-2,6,8-nonatrienoate

  • Molecular FormulaC21H27ClO2
  • Average mass346.891 Da
  • Monoisotopic mass346.169952 Da
  • ChemSpider ID34244307

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,6E,8E)-9-(3-Chloro-2,4,6-triméthylphényl)-3,7-diméthyl-2,6,8-nonatriénoate de méthyle [French] [ACD/IUPAC Name]
2,6,8-Nonatrienoic acid, 9-(3-chloro-2,4,6-trimethylphenyl)-3,7-dimethyl-, methyl ester, (2E,6E,8E)- [ACD/Index Name]
Methyl (2E,6E,8E)-9-(3-chloro-2,4,6-trimethylphenyl)-3,7-dimethyl-2,6,8-nonatrienoate [ACD/IUPAC Name]
Methyl-(2E,6E,8E)-9-(3-chlor-2,4,6-trimethylphenyl)-3,7-dimethyl-2,6,8-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: 481.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 250.6±24.2 °C
Index of Refraction: 1.548
Molar Refractivity: 104.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 6.57
ACD/BCF (pH 5.5): 57477.53
ACD/KOC (pH 5.5): 88803.49
ACD/LogD (pH 7.4): 6.57
ACD/BCF (pH 7.4): 57477.53
ACD/KOC (pH 7.4): 88803.49
Polar Surface Area: 26 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 330.1±3.0 cm3

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