ChemSpider 2D Image | Ethyl 1-benzyl-4-oxocyclohexanecarboxylate | C16H20O3

Ethyl 1-benzyl-4-oxocyclohexanecarboxylate

  • Molecular FormulaC16H20O3
  • Average mass260.328 Da
  • Monoisotopic mass260.141235 Da
  • ChemSpider ID28539894

More details:

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

1-Benzyl-4-oxocyclohexanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-oxo-1-(phenylmethyl)-, ethyl ester [ACD/Index Name]
Ethyl 1-benzyl-4-oxocyclohexanecarboxylate [ACD/IUPAC Name]
Ethyl-1-benzyl-4-oxocyclohexancarboxylat [German] [ACD/IUPAC Name]
875768-84-6 [RN]
Ethyl 1-benzyl-4-oxocyclohexane-1-carboxylate
ethyl-1-benzyl-4-oxocyclohexanecarboxylate
MFCD17018650 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 371.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.8±3.0 kJ/mol
Flash Point: 162.0±26.0 °C
Index of Refraction: 1.532
Molar Refractivity: 72.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.27
ACD/KOC (pH 5.5): 700.36
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.27
ACD/KOC (pH 7.4): 700.36
Polar Surface Area: 43 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 233.8±3.0 cm3

Click to predict properties on the Chemicalize site


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