ChemSpider 2D Image | 4-Fluoro-1H-azepine | C6H6FN

4-Fluoro-1H-azepine

  • Molecular FormulaC6H6FN
  • Average mass111.117 Da
  • Monoisotopic mass111.048424 Da
  • ChemSpider ID95594982

More details:






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

1H-Azepine, 4-fluoro- [ACD/Index Name]
4-Fluor-1H-azepin [German] [ACD/IUPAC Name]
4-Fluoro-1H-azepine [ACD/IUPAC Name]
4-Fluoro-1H-azépine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 153.6±40.0 °C at 760 mmHg
Vapour Pressure: 3.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.0±3.0 kJ/mol
Flash Point: 46.7±27.3 °C
Index of Refraction: 1.522
Molar Refractivity: 31.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.67
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.46
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.49
Polar Surface Area: 12 Å2
Polarizability: 12.3±0.5 10-24cm3
Surface Tension: 29.4±5.0 dyne/cm
Molar Volume: 101.9±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement