ChemSpider 2D Image | Methyl 6-{2-[(1E)-3-oxo-1-buten-1-yl]phenyl}hexanoate | C17H22O3

Methyl 6-{2-[(1E)-3-oxo-1-buten-1-yl]phenyl}hexanoate

  • Molecular FormulaC17H22O3
  • Average mass274.355 Da
  • Monoisotopic mass274.156891 Da
  • ChemSpider ID29417817

  • Double-bond stereo - Double-bond stereo

More details:

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

6-{2-[(1E)-3-Oxo-1-butén-1-yl]phényl}hexanoate de méthyle [French] [ACD/IUPAC Name]
Benzenehexanoic acid, 2-[(1E)-3-oxo-1-buten-1-yl]-, methyl ester [ACD/Index Name]
Methyl 6-{2-[(1E)-3-oxo-1-buten-1-yl]phenyl}hexanoate [ACD/IUPAC Name]
Methyl-6-{2-[(1E)-3-oxo-1-buten-1-yl]phenyl}hexanoat [German] [ACD/IUPAC Name]
Lahorenoic acid B

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

Density: 1.0±0.1 g/cm3
Boiling Point: 408.4±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.0±3.0 kJ/mol
Flash Point: 178.6±25.4 °C
Index of Refraction: 1.531
Molar Refractivity: 81.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 369.98
ACD/KOC (pH 5.5): 2398.32
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 369.98
ACD/KOC (pH 7.4): 2398.32
Polar Surface Area: 43 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 262.9±3.0 cm3

Click to predict properties on the Chemicalize site


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