ChemSpider 2D Image | Ethyl 8-cyclopropyl-8-oxooctanoate | C13H22O3

Ethyl 8-cyclopropyl-8-oxooctanoate

  • Molecular FormulaC13H22O3
  • Average mass226.312 Da
  • Monoisotopic mass226.156891 Da
  • ChemSpider ID21402211

More details:

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

898776-36-8 [RN]
8-Cyclopropyl-8-oxooctanoate d'éthyle [French] [ACD/IUPAC Name]
Cyclopropaneoctanoic acid, η-oxo-, ethyl ester [ACD/Index Name]
Ethyl 8-cyclopropyl-8-oxooctanoate [ACD/IUPAC Name]
Ethyl-8-cyclopropyl-8-oxooctanoat [German] [ACD/IUPAC Name]
ETHYL8-CYCLOPROPYL-8-OXOOCTANOATE
MFCD01320333 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 325.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.7±3.0 kJ/mol
Flash Point: 139.9±23.2 °C
Index of Refraction: 1.474
Molar Refractivity: 61.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.98
ACD/KOC (pH 5.5): 628.61
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.98
ACD/KOC (pH 7.4): 628.61
Polar Surface Area: 43 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 220.0±3.0 cm3

Click to predict properties on the Chemicalize site


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