ChemSpider 2D Image | 2-Azabicyclo[2.2.0]hexa-2,5-diene | C5H5N

2-Azabicyclo[2.2.0]hexa-2,5-diene

  • Molecular FormulaC5H5N
  • Average mass79.100 Da
  • Monoisotopic mass79.042198 Da
  • ChemSpider ID57467682

More details:






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

2-Azabicyclo[2.2.0]hexa-2,5-dien [German] [ACD/IUPAC Name]
2-Azabicyclo[2.2.0]hexa-2,5-diene [ACD/Index Name] [ACD/IUPAC Name]
2-Azabicyclo[2.2.0]hexa-2,5-diène [French] [ACD/IUPAC Name]
6566-96-7 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 135.3±45.0 °C at 760 mmHg
Vapour Pressure: 9.6±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.7±3.0 kJ/mol
Flash Point: 26.7±29.6 °C
Index of Refraction: 1.713
Molar Refractivity: 23.5±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.89
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.52
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.83
Polar Surface Area: 12 Å2
Polarizability: 9.3±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 60.0±7.0 cm3

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