ChemSpider 2D Image | 1-(Octahydro-4H-1,4-benzoxazin-4-yl)-2-phenylethanone | C16H21NO2

1-(Octahydro-4H-1,4-benzoxazin-4-yl)-2-phenylethanone

  • Molecular FormulaC16H21NO2
  • Average mass259.343 Da
  • Monoisotopic mass259.157227 Da
  • ChemSpider ID25956770

More details:

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

1-(Octahydro-4H-1,4-benzoxazin-4-yl)-2-phenylethanon [German] [ACD/IUPAC Name]
1-(Octahydro-4H-1,4-benzoxazin-4-yl)-2-phenylethanone [ACD/IUPAC Name]
1-(Octahydro-4H-1,4-benzoxazin-4-yl)-2-phényléthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(octahydro-4H-1,4-benzoxazin-4-yl)-2-phenyl- [ACD/Index Name]
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-phenylethanone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 439.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 219.6±28.7 °C
Index of Refraction: 1.548
Molar Refractivity: 73.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 88.86
ACD/KOC (pH 5.5): 863.95
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 88.86
ACD/KOC (pH 7.4): 863.95
Polar Surface Area: 30 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 232.5±3.0 cm3

Click to predict properties on the Chemicalize site


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