ChemSpider 2D Image | 3-Ethynyl-1H-1,2,4-triazole | C4H3N3

3-Ethynyl-1H-1,2,4-triazole

  • Molecular FormulaC4H3N3
  • Average mass93.087 Da
  • Monoisotopic mass93.032700 Da
  • ChemSpider ID65357354

More details:

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

1H-1,2,4-Triazole, 3-ethynyl- [ACD/Index Name]
3-Ethinyl-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-Ethynyl-1H-1,2,4-triazole [ACD/IUPAC Name]
3-Éthynyl-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
2138143-45-8 [RN]
MFCD31463883

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

Density: 1.3±0.1 g/cm3
Boiling Point: 262.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.1±3.0 kJ/mol
Flash Point: 132.1±15.6 °C
Index of Refraction: 1.556
Molar Refractivity: 23.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.66
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.32
Polar Surface Area: 42 Å2
Polarizability: 9.3±0.5 10-24cm3
Surface Tension: 78.0±5.0 dyne/cm
Molar Volume: 72.6±5.0 cm3

Click to predict properties on the Chemicalize site


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