ChemSpider 2D Image | Methyl 2-[(3,7-dimethyl-2,6-octadien-1-ylidene)amino]benzoate | C18H23NO2

Methyl 2-[(3,7-dimethyl-2,6-octadien-1-ylidene)amino]benzoate

  • Molecular FormulaC18H23NO2
  • Average mass285.381 Da
  • Monoisotopic mass285.172882 Da
  • ChemSpider ID103876525

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{(E)-[(2E)-3,7-Diméthyl-2,6-octadién-1-ylidène]amino}benzoate de méthyle [French] [ACD/IUPAC Name]
67801-47-2 [RN]
Benzoic acid, 2-[[(1E,2E)-3,7-dimethyl-2,6-octadien-1-ylidene]amino]-, methyl ester [ACD/Index Name]
Methyl 2-[(3,7-dimethyl-2,6-octadien-1-ylidene)amino]benzoate [ACD/IUPAC Name]
Methyl 2-{(E)-[(2E)-3,7-dimethyl-2,6-octadien-1-ylidene]amino}benzoate [ACD/IUPAC Name]
Methyl-2-{(E)-[(2E)-3,7-dimethyl-2,6-octadien-1-yliden]amino}benzoat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 414.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 159.3±23.2 °C
Index of Refraction: 1.497
Molar Refractivity: 87.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 5.62
ACD/BCF (pH 5.5): 10738.47
ACD/KOC (pH 5.5): 25764.67
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12194.94
ACD/KOC (pH 7.4): 29259.16
Polar Surface Area: 39 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 31.7±7.0 dyne/cm
Molar Volume: 298.9±7.0 cm3

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