ChemSpider 2D Image | Methyl 4-(2H-1,2,3-triazol-2-yl)butanoate | C7H11N3O2

Methyl 4-(2H-1,2,3-triazol-2-yl)butanoate

  • Molecular FormulaC7H11N3O2
  • Average mass169.181 Da
  • Monoisotopic mass169.085129 Da
  • ChemSpider ID72383594

More details:

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

2H-1,2,3-Triazole-2-butanoic acid, methyl ester [ACD/Index Name]
4-(2H-1,2,3-Triazol-2-yl)butanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-(2H-1,2,3-triazol-2-yl)butanoate [ACD/IUPAC Name]
Methyl-4-(2H-1,2,3-triazol-2-yl)butanoat [German] [ACD/IUPAC Name]
2288709-41-9 [RN]
MEthyl 4-(1,2,3-triazol-2-yl)butanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 284.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.4±3.0 kJ/mol
Flash Point: 126.0±27.9 °C
Index of Refraction: 1.548
Molar Refractivity: 44.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.23
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 46.55
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.50
ACD/KOC (pH 7.4): 46.56
Polar Surface Area: 57 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 139.8±7.0 cm3

Click to predict properties on the Chemicalize site


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