ChemSpider 2D Image | 1-[2-(2,4-Dichlorophenyl)(4,4,5,5,5-~2~H_5_)pentyl]-1H-1,2,4-triazole | C13H10D5Cl2N3

1-[2-(2,4-Dichlorophenyl)(4,4,5,5,5-2H5)pentyl]-1H-1,2,4-triazole

  • Molecular FormulaC13H10D5Cl2N3
  • Average mass289.215 Da
  • Monoisotopic mass288.095673 Da
  • ChemSpider ID58784774

  • Non-standard isotope - Non-standard isotope

More details:

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

1-[2-(2,4-Dichlorophenyl)(4,4,5,5,5-2H5)pentyl]-1H-1,2,4-triazole [ACD/IUPAC Name]
1-[2-(2,4-Dichlorophényl)(4,4,5,5,5-2H5)pentyl]-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1-[2-(2,4-Dichlorphenyl)(4,4,5,5,5-2H5)pentyl]-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)pentyl-4,4,5,5,5-d5]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 415.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 204.9±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 76.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 518.73
ACD/KOC (pH 5.5): 3051.49
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 520.59
ACD/KOC (pH 7.4): 3062.41
Polar Surface Area: 31 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 222.9±7.0 cm3

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