ChemSpider 2D Image | Ethyl 6-cyclopentyl-6-oxohexanoate | C13H22O3

Ethyl 6-cyclopentyl-6-oxohexanoate

  • Molecular FormulaC13H22O3
  • Average mass226.312 Da
  • Monoisotopic mass226.156891 Da
  • ChemSpider ID21402199

More details:






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

6-Cyclopentyl-6-oxohexanoate d'éthyle [French] [ACD/IUPAC Name]
Cyclopentanehexanoic acid, ε-oxo-, ethyl ester [ACD/Index Name]
Ethyl 6-cyclopentyl-6-oxohexanoate [ACD/IUPAC Name]
Ethyl-6-cyclopentyl-6-oxohexanoat [German] [ACD/IUPAC Name]
3352-08-7 [RN]
MFCD01320324 [MDL number]

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

07.08.3352 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 328.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.1±3.0 kJ/mol
Flash Point: 141.9±23.2 °C
Index of Refraction: 1.468
Molar Refractivity: 61.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 63.76
ACD/KOC (pH 5.5): 681.22
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 63.76
ACD/KOC (pH 7.4): 681.22
Polar Surface Area: 43 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 222.5±3.0 cm3

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