ChemSpider 2D Image | Methyl 1-octyl-2-oxocyclohexanecarboxylate | C16H28O3

Methyl 1-octyl-2-oxocyclohexanecarboxylate

  • Molecular FormulaC16H28O3
  • Average mass268.392 Da
  • Monoisotopic mass268.203857 Da
  • ChemSpider ID59719718

More details:






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

1-Octyl-2-oxocyclohexanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 1-octyl-2-oxo-, methyl ester [ACD/Index Name]
Methyl 1-octyl-2-oxocyclohexanecarboxylate [ACD/IUPAC Name]
Methyl-1-octyl-2-oxocyclohexancarboxylat [German] [ACD/IUPAC Name]
2109037-87-6 [RN]
methyl 1-octyl-2-oxocyclohexane-1-carboxylate
MFCD29060039

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

Density: 1.0±0.1 g/cm3
Boiling Point: 353.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.9±3.0 kJ/mol
Flash Point: 151.1±26.0 °C
Index of Refraction: 1.462
Molar Refractivity: 75.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1457.85
ACD/KOC (pH 5.5): 6400.05
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1457.85
ACD/KOC (pH 7.4): 6400.05
Polar Surface Area: 43 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 275.6±3.0 cm3

Click to predict properties on the Chemicalize site






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