ChemSpider 2D Image | Cyclohexyl 3,3-dimethylbutanoate | C12H22O2

Cyclohexyl 3,3-dimethylbutanoate

  • Molecular FormulaC12H22O2
  • Average mass198.302 Da
  • Monoisotopic mass198.161987 Da
  • ChemSpider ID10688091

More details:

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

3,3-Diméthylbutanoate de cyclohexyle [French] [ACD/IUPAC Name]
Butanoic acid, 3,3-dimethyl-, cyclohexyl ester [ACD/Index Name]
Cyclohexyl 3,3-dimethylbutanoate [ACD/IUPAC Name]
Cyclohexyl-3,3-dimethylbutanoat [German] [ACD/IUPAC Name]
20298-70-8 [RN]
trans-2-tert-butylcyclohexyl acetate

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

Density: 0.9±0.1 g/cm3
Boiling Point: 226.5±8.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.3±3.0 kJ/mol
Flash Point: 93.1±6.0 °C
Index of Refraction: 1.453
Molar Refractivity: 57.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 447.92
ACD/KOC (pH 5.5): 2749.98
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 447.92
ACD/KOC (pH 7.4): 2749.98
Polar Surface Area: 26 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 30.9±5.0 dyne/cm
Molar Volume: 212.5±5.0 cm3

Click to predict properties on the Chemicalize site


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