ChemSpider 2D Image | 5-Fluoro-3H-azepine | C6H6FN

5-Fluoro-3H-azepine

  • Molecular FormulaC6H6FN
  • Average mass111.117 Da
  • Monoisotopic mass111.048424 Da
  • ChemSpider ID115296945

More details:

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

3H-Azepine, 5-fluoro- [ACD/Index Name]
5-Fluor-3H-azepin [German] [ACD/IUPAC Name]
5-Fluoro-3H-azepine [ACD/IUPAC Name]
5-Fluoro-3H-azépine [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 162.4±40.0 °C at 760 mmHg
Vapour Pressure: 2.8±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.3±3.0 kJ/mol
Flash Point: 52.0±27.3 °C
Index of Refraction: 1.479
Molar Refractivity: 30.6±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.40
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.63
ACD/KOC (pH 5.5): 61.25
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.08
ACD/KOC (pH 7.4): 95.08
Polar Surface Area: 12 Å2
Polarizability: 12.1±0.5 10-24cm3
Surface Tension: 29.4±7.0 dyne/cm
Molar Volume: 107.8±7.0 cm3

Click to predict properties on the Chemicalize site


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