ChemSpider 2D Image | Ethyl 5-cyclohexyl-3-oxopentanoate | C13H22O3

Ethyl 5-cyclohexyl-3-oxopentanoate

  • Molecular FormulaC13H22O3
  • Average mass226.312 Da
  • Monoisotopic mass226.156891 Da
  • ChemSpider ID24722930

More details:






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

126930-21-0 [RN]
5-Cyclohexyl-3-oxopentanoate d'éthyle [French] [ACD/IUPAC Name]
5-Cyclohexyl-3-oxo-pentanoic acid ethyl ester
Cyclohexanepentanoic acid, β-oxo-, ethyl ester [ACD/Index Name]
Ethyl 5-cyclohexyl-3-oxopentanoate [ACD/IUPAC Name]
Ethyl-5-cyclohexyl-3-oxopentanoat [German] [ACD/IUPAC Name]
MFCD03844430

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

Density: 1.0±0.1 g/cm3
Boiling Point: 309.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.0±3.0 kJ/mol
Flash Point: 131.6±20.4 °C
Index of Refraction: 1.458
Molar Refractivity: 62.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 349.82
ACD/KOC (pH 5.5): 2304.05
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 349.64
ACD/KOC (pH 7.4): 2302.82
Polar Surface Area: 43 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 227.2±3.0 cm3

Click to predict properties on the Chemicalize site






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