ChemSpider 2D Image | 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butan(~2~H)ol | C14H17DClN3O2

1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butan(2H)ol

  • Molecular FormulaC14H17DClN3O2
  • Average mass296.771 Da
  • Monoisotopic mass296.115021 Da
  • ChemSpider ID95758324
  • Non-standard isotope - Non-standard isotope


More details:






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

1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butan(2H)ol [ACD/IUPAC Name]
1-(4-Chlorophénoxy)-3,3-diméthyl-1-(1H-1,2,4-triazol-1-yl)-2-butan(2H)ol [French] [ACD/IUPAC Name]
1-(4-Chlorphenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butan(2H)ol [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole-1-ethanol-d, β-(4-chlorophenoxy)-α-(1,1-dimethylethyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 465.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 235.3±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 78.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 121.97
ACD/KOC (pH 5.5): 1083.60
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 122.04
ACD/KOC (pH 7.4): 1084.23
Polar Surface Area: 60 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 42.4±7.0 dyne/cm
Molar Volume: 237.1±7.0 cm3

Click to predict properties on the Chemicalize site






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