ChemSpider 2D Image | Ethyl 2-methyl-4-oxo-2-cyclohexene-1-carboxylate | C10H14O3

Ethyl 2-methyl-4-oxo-2-cyclohexene-1-carboxylate

  • Molecular FormulaC10H14O3
  • Average mass182.216 Da
  • Monoisotopic mass182.094299 Da
  • ChemSpider ID21427377

More details:

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

2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-, ethyl ester [ACD/Index Name]
2-Méthyl-4-oxo-2-cyclohexène-1-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-methyl-4-oxo-2-cyclohexene-1-carboxylate [ACD/IUPAC Name]
Ethyl-2-methyl-4-oxo-2-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 271.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.0±3.0 kJ/mol
Flash Point: 115.6±27.4 °C
Index of Refraction: 1.478
Molar Refractivity: 47.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 6.30
ACD/KOC (pH 5.5): 129.99
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.30
ACD/KOC (pH 7.4): 129.99
Polar Surface Area: 43 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 168.3±3.0 cm3

Click to predict properties on the Chemicalize site


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