ChemSpider 2D Image | 2-Propadienyl-2H-benzotriazole | C9H7N3

2-Propadienyl-2H-benzotriazole

  • Molecular FormulaC9H7N3
  • Average mass157.172 Da
  • Monoisotopic mass157.063995 Da
  • ChemSpider ID21107488

More details:

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

2H-1,2,3-Benzotriazole, 2-(1,2-propadienyl)- [ACD/Index Name]
2-Propadienyl-2H-benzotriazol [German] [ACD/IUPAC Name]
2-Propadienyl-2H-benzotriazole [ACD/IUPAC Name]
2-Propadiényl-2H-benzotriazole [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 329.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.2±3.0 kJ/mol
Flash Point: 153.1±23.2 °C
Index of Refraction: 1.616
Molar Refractivity: 48.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.18
ACD/KOC (pH 5.5): 309.58
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.18
ACD/KOC (pH 7.4): 309.58
Polar Surface Area: 31 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 139.7±7.0 cm3

Click to predict properties on the Chemicalize site


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