ChemSpider 2D Image | Ethyl 8,8-dimethyl-7-oxononanoate | C13H24O3

Ethyl 8,8-dimethyl-7-oxononanoate

  • Molecular FormulaC13H24O3
  • Average mass228.328 Da
  • Monoisotopic mass228.172546 Da
  • ChemSpider ID21402214

More details:

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

8,8-Diméthyl-7-oxononanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 8,8-dimethyl-7-oxononanoate [ACD/IUPAC Name]
Ethyl-8,8-dimethyl-7-oxononanoat [German] [ACD/IUPAC Name]
Nonanoic acid, 8,8-dimethyl-7-oxo-, ethyl ester [ACD/Index Name]
898776-42-6 [RN]
ETHYL8,8-DIMETHYL-7-OXONONANOATE
MFCD01311669 [MDL number]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 305.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.6±3.0 kJ/mol
Flash Point: 128.8±23.2 °C
Index of Refraction: 1.438
Molar Refractivity: 64.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 108.60
ACD/KOC (pH 5.5): 997.39
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 108.60
ACD/KOC (pH 7.4): 997.39
Polar Surface Area: 43 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 30.8±3.0 dyne/cm
Molar Volume: 243.8±3.0 cm3

Click to predict properties on the Chemicalize site


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