ChemSpider 2D Image | 5-Methyl-1,2,3,4-oxatriazole | C2H3N3O

5-Methyl-1,2,3,4-oxatriazole

  • Molecular FormulaC2H3N3O
  • Average mass85.065 Da
  • Monoisotopic mass85.027611 Da
  • ChemSpider ID14870480

More details:






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

1,2,3,4-Oxatriazole, 5-methyl- [ACD/Index Name]
5-Methyl-1,2,3,4-oxatriazol [German] [ACD/IUPAC Name]
5-Methyl-1,2,3,4-oxatriazole [ACD/IUPAC Name]
5-Méthyl-1,2,3,4-oxatriazole [French] [ACD/IUPAC Name]
263396-38-9 [RN]
MFCD18804414

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

Density: 1.2±0.1 g/cm3
Boiling Point: 116.5±23.0 °C at 760 mmHg
Vapour Pressure: 21.6±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.0±3.0 kJ/mol
Flash Point: 32.3±16.6 °C
Index of Refraction: 1.431
Molar Refractivity: 17.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.00
ACD/LogD (pH 7.4): -0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.00
Polar Surface Area: 52 Å2
Polarizability: 7.0±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 68.2±3.0 cm3

Click to predict properties on the Chemicalize site






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