ChemSpider 2D Image | Ethyl 2-(3-oxocyclohexyl)benzoate | C15H18O3

Ethyl 2-(3-oxocyclohexyl)benzoate

  • Molecular FormulaC15H18O3
  • Average mass246.302 Da
  • Monoisotopic mass246.125595 Da
  • ChemSpider ID21398653

More details:

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

2-(3-Oxocyclohexyl)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-(3-oxocyclohexyl)-, ethyl ester [ACD/Index Name]
Ethyl 2-(3-oxocyclohexyl)benzoate [ACD/IUPAC Name]
Ethyl-2-(3-oxocyclohexyl)benzoat [German] [ACD/IUPAC Name]
284022-85-1 [RN]
MFCD03841039 [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: 373.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.0±3.0 kJ/mol
Flash Point: 164.2±27.9 °C
Index of Refraction: 1.532
Molar Refractivity: 68.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 79.99
ACD/KOC (pH 5.5): 801.29
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 79.99
ACD/KOC (pH 7.4): 801.29
Polar Surface Area: 43 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 221.5±3.0 cm3

Click to predict properties on the Chemicalize site


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