ChemSpider 2D Image | Ethyl (2E,4E,6E,8E)-9-(2,6-dichloro-4-methoxy-3-methylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate | C21H24Cl2O3

Ethyl (2E,4E,6E,8E)-9-(2,6-dichloro-4-methoxy-3-methylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate

  • Molecular FormulaC21H24Cl2O3
  • Average mass395.319 Da
  • Monoisotopic mass394.110260 Da
  • ChemSpider ID25997187

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E,6E,8E)-9-(2,6-Dichloro-4-méthoxy-3-méthylphényl)-3,7-diméthyl-2,4,6,8-nonatétraénoate d'éthyle [French] [ACD/IUPAC Name]
2,4,6,8-Nonatetraenoic acid, 9-(2,6-dichloro-4-methoxy-3-methylphenyl)-3,7-dimethyl-, ethyl ester, (2E,4E,6E,8E)- [ACD/Index Name]
Ethyl (2E,4E,6E,8E)-9-(2,6-dichloro-4-methoxy-3-methylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate [ACD/IUPAC Name]
Ethyl-(2E,4E,6E,8E)-9-(2,6-dichlor-4-methoxy-3-methylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoat [German] [ACD/IUPAC Name]
ethyl (2E,4E,6E,8E)-9-(2,6-dichloro-4-methoxy-3-methylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 531.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 182.6±29.1 °C
Index of Refraction: 1.562
Molar Refractivity: 111.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.08
ACD/LogD (pH 5.5): 6.46
ACD/BCF (pH 5.5): 47825.80
ACD/KOC (pH 5.5): 77854.63
ACD/LogD (pH 7.4): 6.46
ACD/BCF (pH 7.4): 47825.80
ACD/KOC (pH 7.4): 77854.63
Polar Surface Area: 36 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 343.6±3.0 cm3

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