ChemSpider 2D Image | Methyl 5,5-dicyano-4-phenyl-1-cyclohexene-1-carboxylate | C16H14N2O2

Methyl 5,5-dicyano-4-phenyl-1-cyclohexene-1-carboxylate

  • Molecular FormulaC16H14N2O2
  • Average mass266.295 Da
  • Monoisotopic mass266.105530 Da
  • ChemSpider ID26948615

More details:

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

1-Cyclohexene-1-carboxylic acid, 5,5-dicyano-4-phenyl-, methyl ester [ACD/Index Name]
5,5-Dicyano-4-phényl-1-cyclohexène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5,5-dicyano-4-phenyl-1-cyclohexene-1-carboxylate [ACD/IUPAC Name]
Methyl-5,5-dicyan-4-phenyl-1-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]
Methyl 5,5-dicyano-4-phenylcyclohex-1-enecarboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 459.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 200.4±18.9 °C
Index of Refraction: 1.572
Molar Refractivity: 72.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 74.00
ACD/KOC (pH 5.5): 757.93
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 74.00
ACD/KOC (pH 7.4): 757.93
Polar Surface Area: 74 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 220.2±5.0 cm3

Click to predict properties on the Chemicalize site


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