ChemSpider 2D Image | 3-(~2~H_3_)Methyl(~2~H_3_)-1H-pyrazole | C4D6N2

3-(2H3)Methyl(2H3)-1H-pyrazole

  • Molecular FormulaC4D6N2
  • Average mass88.141 Da
  • Monoisotopic mass88.090759 Da
  • ChemSpider ID111331557

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Pyrazole-1,4,5-d3, 3-(methyl-d3)- [ACD/Index Name]
3-(2H3)Methyl(2H3)-1H-pyrazol [German] [ACD/IUPAC Name]
3-(2H3)Methyl(2H3)-1H-pyrazole [ACD/IUPAC Name]
3-(2H3)Méthyl(2H3)-1H-pyrazole [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 204.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 42.2±3.0 kJ/mol
Flash Point: 87.4±11.7 °C
Index of Refraction: 1.523
Molar Refractivity: 23.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.22
ACD/KOC (pH 5.5): 61.30
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 2.26
ACD/KOC (pH 7.4): 62.39
Polar Surface Area: 29 Å2
Polarizability: 9.4±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 77.3±3.0 cm3

Click to predict properties on the Chemicalize site


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