ChemSpider 2D Image | 4-(3-Methyl-1,2-oxazol-5-yl)-5-phenyl-1,3-cyclohexanedione | C16H15NO3

4-(3-Methyl-1,2-oxazol-5-yl)-5-phenyl-1,3-cyclohexanedione

  • Molecular FormulaC16H15NO3
  • Average mass269.295 Da
  • Monoisotopic mass269.105194 Da
  • ChemSpider ID21215376

More details:

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

1,3-Cyclohexanedione, 4-(3-methyl-5-isoxazolyl)-5-phenyl- [ACD/Index Name]
4-(3-Methyl-1,2-oxazol-5-yl)-5-phenyl-1,3-cyclohexandion [German] [ACD/IUPAC Name]
4-(3-Methyl-1,2-oxazol-5-yl)-5-phenyl-1,3-cyclohexanedione [ACD/IUPAC Name]
4-(3-Méthyl-1,2-oxazol-5-yl)-5-phényl-1,3-cyclohexanedione [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 466.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 235.6±28.7 °C
Index of Refraction: 1.568
Molar Refractivity: 72.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.33
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.22
Polar Surface Area: 60 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 220.1±3.0 cm3

Click to predict properties on the Chemicalize site


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