ChemSpider 2D Image | 4-Benzyl-4-methyl-2-cyclohexen-1-one | C14H16O

4-Benzyl-4-methyl-2-cyclohexen-1-one

  • Molecular FormulaC14H16O
  • Average mass200.276 Da
  • Monoisotopic mass200.120117 Da
  • ChemSpider ID28466976

More details:

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

2-Cyclohexen-1-one, 4-methyl-4-(phenylmethyl)- [ACD/Index Name]
4-Benzyl-4-methyl-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
4-Benzyl-4-methyl-2-cyclohexen-1-one [ACD/IUPAC Name]
4-Benzyl-4-méthyl-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
101979-92-4 [RN]
1207111-35-0 [RN]
4-benzyl-4-methyl cyclohex-2-enone
4-Benzyl-4-methylcyclohex-2-en-1-one
4-benzyl-4-methylcyclohex-2-enone
MFCD22381831

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

Density: 1.0±0.1 g/cm3
Boiling Point: 314.6±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.6±3.0 kJ/mol
Flash Point: 134.1±10.4 °C
Index of Refraction: 1.547
Molar Refractivity: 61.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 164.02
ACD/KOC (pH 5.5): 1339.80
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 164.02
ACD/KOC (pH 7.4): 1339.80
Polar Surface Area: 17 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 193.0±3.0 cm3

Click to predict properties on the Chemicalize site


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