ChemSpider 2D Image | Ethyl 7,7-dimethyl-6-oxooctanoate | C12H22O3

Ethyl 7,7-dimethyl-6-oxooctanoate

  • Molecular FormulaC12H22O3
  • Average mass214.301 Da
  • Monoisotopic mass214.156891 Da
  • ChemSpider ID21402213

More details:






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

7,7-Diméthyl-6-oxooctanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 7,7-dimethyl-6-oxooctanoate [ACD/IUPAC Name]
Ethyl-7,7-dimethyl-6-oxooctanoat [German] [ACD/IUPAC Name]
Octanoic acid, 7,7-dimethyl-6-oxo-, ethyl ester [ACD/Index Name]
[898776-39-1]
898776-39-1 [RN]
Ethyl7,7-dimethyl-6-oxooctanoate
MFCD01320336 [MDL number]
  • Miscellaneous

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

Density: 0.9±0.1 g/cm3
Boiling Point: 288.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.8±3.0 kJ/mol
Flash Point: 120.9±22.7 °C
Index of Refraction: 1.436
Molar Refractivity: 59.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.51
ACD/KOC (pH 5.5): 640.64
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.51
ACD/KOC (pH 7.4): 640.64
Polar Surface Area: 43 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 30.6±3.0 dyne/cm
Molar Volume: 227.3±3.0 cm3

Click to predict properties on the Chemicalize site






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