ChemSpider 2D Image | Methyl (5E,8E)-9-(4-chlorophenyl)-7,7-dimethyl-5,8-nonadienoate | C18H23ClO2

Methyl (5E,8E)-9-(4-chlorophenyl)-7,7-dimethyl-5,8-nonadienoate

  • Molecular FormulaC18H23ClO2
  • Average mass306.827 Da
  • Monoisotopic mass306.138672 Da
  • ChemSpider ID107562330

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E,8E)-9-(4-Chlorophényl)-7,7-diméthyl-5,8-nonadiénoate de méthyle [French] [ACD/IUPAC Name]
5,8-Nonadienoic acid, 9-(4-chlorophenyl)-7,7-dimethyl-, methyl ester, (5E,8E)- [ACD/Index Name]
Methyl (5E,8E)-9-(4-chlorophenyl)-7,7-dimethyl-5,8-nonadienoate [ACD/IUPAC Name]
Methyl-(5E,8E)-9-(4-chlorphenyl)-7,7-dimethyl-5,8-nonadienoat [German] [ACD/IUPAC Name]
Methyl 9-(4-chlorophenyl)-7,7-dimethylnona-5,8-dienoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 402.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 200.2±24.2 °C
Index of Refraction: 1.541
Molar Refractivity: 90.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 5.35
ACD/BCF (pH 5.5): 6903.67
ACD/KOC (pH 5.5): 19480.71
ACD/LogD (pH 7.4): 5.35
ACD/BCF (pH 7.4): 6903.67
ACD/KOC (pH 7.4): 19480.71
Polar Surface Area: 26 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 288.1±3.0 cm3

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