ChemSpider 2D Image | 5-(dodecylthio)-1H-1,2,3-triazole-4-carboxylic acid | C15H27N3O2S

5-(dodecylthio)-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC15H27N3O2S
  • Average mass313.459 Da
  • Monoisotopic mass313.182404 Da
  • ChemSpider ID22376222

More details:






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

1H-1,2,3-Triazole-4-carboxylic acid, 5-(dodecylthio)- [ACD/Index Name]
4-(Dodecylsulfanyl)-1H-1,2,3-triazol-5-carbonsäure [German] [ACD/IUPAC Name]
4-(Dodecylsulfanyl)-1H-1,2,3-triazole-5-carboxylic acid [ACD/IUPAC Name]
5-(dodecylthio)-1H-1,2,3-triazole-4-carboxylic acid
Acide 4-(dodécylsulfanyl)-1H-1,2,3-triazole-5-carboxylique [French] [ACD/IUPAC Name]
2RD
5-(dodecylsulfanyl)-1H-1,2,3-triazole-4-carboxylic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 486.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 248.0±24.6 °C
Index of Refraction: 1.535
Molar Refractivity: 86.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 77.74
ACD/KOC (pH 5.5): 166.24
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 11.66
ACD/KOC (pH 7.4): 24.93
Polar Surface Area: 104 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 276.5±5.0 cm3

Click to predict properties on the Chemicalize site






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