ChemSpider 2D Image | 2-Methyl-2-propanyl 1-methyl-4-oxocyclohexanecarboxylate | C12H20O3

2-Methyl-2-propanyl 1-methyl-4-oxocyclohexanecarboxylate

  • Molecular FormulaC12H20O3
  • Average mass212.285 Da
  • Monoisotopic mass212.141251 Da
  • ChemSpider ID28540131

More details:

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

1-Méthyl-4-oxocyclohexanecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 1-methyl-4-oxocyclohexanecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1-methyl-4-oxocyclohexancarboxylat [German] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 1-methyl-4-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
1308838-28-9 [RN]
MFCD24396548
tert-butyl 1-methyl-4-oxocyclohexane-1-carboxylate
tert-butyl 1-methyl-4-oxocyclohexanecarboxylate
tert-butyl-1-methyl-4-oxocyclohexanecarboxylate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 277.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.6±3.0 kJ/mol
Flash Point: 115.7±25.4 °C
Index of Refraction: 1.461
Molar Refractivity: 57.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 33.75
ACD/KOC (pH 5.5): 432.10
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.75
ACD/KOC (pH 7.4): 432.10
Polar Surface Area: 43 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 208.6±3.0 cm3

Click to predict properties on the Chemicalize site


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