ChemSpider 2D Image | Ethyl 5-cyclohexyl-5-oxopentanoate | C13H22O3

Ethyl 5-cyclohexyl-5-oxopentanoate

  • Molecular FormulaC13H22O3
  • Average mass226.312 Da
  • Monoisotopic mass226.156891 Da
  • ChemSpider ID21402195

More details:






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

5-Cyclohexyl-5-oxopentanoate d'éthyle [French] [ACD/IUPAC Name]
Cyclohexanepentanoic acid, δ-oxo-, ethyl ester [ACD/Index Name]
Ethyl 5-cyclohexyl-5-oxopentanoate [ACD/IUPAC Name]
Ethyl-5-cyclohexyl-5-oxopentanoat [German] [ACD/IUPAC Name]
[16076-61-2] [RN]
16076-61-2 [RN]
Ethyl 5-cyclohexyl-5-oxovalerate
MFCD01320319 [MDL number]
  • Miscellaneous

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 326.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.9±3.0 kJ/mol
Flash Point: 140.7±20.4 °C
Index of Refraction: 1.465
Molar Refractivity: 61.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.57
ACD/KOC (pH 5.5): 826.86
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.57
ACD/KOC (pH 7.4): 826.86
Polar Surface Area: 43 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 223.7±3.0 cm3

Click to predict properties on the Chemicalize site






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