ChemSpider 2D Image | 1-(2-Propyn-1-yl)-3-(trifluoromethyl)-1H-1,2,4-triazole | C6H4F3N3

1-(2-Propyn-1-yl)-3-(trifluoromethyl)-1H-1,2,4-triazole

  • Molecular FormulaC6H4F3N3
  • Average mass175.111 Da
  • Monoisotopic mass175.035736 Da
  • ChemSpider ID61230042

More details:

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

1-(2-Propin-1-yl)-3-(trifluormethyl)-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
1-(2-Propyn-1-yl)-3-(trifluoromethyl)-1H-1,2,4-triazole [ACD/IUPAC Name]
1-(2-Propyn-1-yl)-3-(trifluorométhyl)-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole, 1-(2-propyn-1-yl)-3-(trifluoromethyl)- [ACD/Index Name]
1864464-22-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 184.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.1±3.0 kJ/mol
Flash Point: 65.4±30.1 °C
Index of Refraction: 1.474
Molar Refractivity: 37.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.06
ACD/KOC (pH 5.5): 77.51
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.06
ACD/KOC (pH 7.4): 77.51
Polar Surface Area: 31 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 29.7±7.0 dyne/cm
Molar Volume: 134.0±7.0 cm3

Click to predict properties on the Chemicalize site


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