ChemSpider 2D Image | 4,4'-(1H-1,2,3-Triazole-1,5-diyl)diphenol | C14H11N3O2

4,4'-(1H-1,2,3-Triazole-1,5-diyl)diphenol

  • Molecular FormulaC14H11N3O2
  • Average mass253.256 Da
  • Monoisotopic mass253.085129 Da
  • ChemSpider ID35034411

More details:






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

4,4'-(1H-1,2,3-Triazol-1,5-diyl)diphenol [German] [ACD/IUPAC Name]
4,4'-(1H-1,2,3-Triazole-1,5-diyl)diphenol [ACD/IUPAC Name]
4,4'-(1H-1,2,3-Triazole-1,5-diyl)diphénol [French] [ACD/IUPAC Name]
Phenol, 4,4'-(1H-1,2,3-triazole-1,5-diyl)bis- [ACD/Index Name]
TDH

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

Density: 1.4±0.1 g/cm3
Boiling Point: 521.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 269.1±32.9 °C
Index of Refraction: 1.685
Molar Refractivity: 71.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.25
ACD/KOC (pH 5.5): 278.12
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 15.86
ACD/KOC (pH 7.4): 241.73
Polar Surface Area: 71 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 187.3±7.0 cm3

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