ChemSpider 2D Image | Ethyl 7-cyclobutyl-7-oxoheptanoate | C13H22O3

Ethyl 7-cyclobutyl-7-oxoheptanoate

  • Molecular FormulaC13H22O3
  • Average mass226.312 Da
  • Monoisotopic mass226.156891 Da
  • ChemSpider ID21402205

More details:






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

7-Cyclobutyl-7-oxoheptanoate d'éthyle [French] [ACD/IUPAC Name]
Cyclobutaneheptanoic acid, ζ-oxo-, ethyl ester [ACD/Index Name]
Ethyl 7-cyclobutyl-7-oxoheptanoate [ACD/IUPAC Name]
Ethyl-7-cyclobutyl-7-oxoheptanoat [German] [ACD/IUPAC Name]
898776-21-1 [RN]
ethyl 7-cyclobutyl -7-oxoheptanoate
ethyl7-cyclobutyl-7-oxoheptanoate
MFCD01311664 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 326.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.9±3.0 kJ/mol
Flash Point: 140.9±23.2 °C
Index of Refraction: 1.471
Molar Refractivity: 61.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.43
ACD/KOC (pH 5.5): 701.54
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.43
ACD/KOC (pH 7.4): 701.54
Polar Surface Area: 43 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 221.3±3.0 cm3

Click to predict properties on the Chemicalize site






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