ChemSpider 2D Image | 3,5-Dimethyl-1-[(4-~2~H)phenyl]-1H-pyrazole | C11H11DN2

3,5-Dimethyl-1-[(4-2H)phenyl]-1H-pyrazole

  • Molecular FormulaC11H11DN2
  • Average mass173.232 Da
  • Monoisotopic mass173.106323 Da
  • ChemSpider ID74814401

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Pyrazole, 3,5-dimethyl-1-(phenyl-4-d)- [ACD/Index Name]
3,5-Dimethyl-1-[(4-2H)phenyl]-1H-pyrazol [German] [ACD/IUPAC Name]
3,5-Dimethyl-1-[(4-2H)phenyl]-1H-pyrazole [ACD/IUPAC Name]
3,5-Diméthyl-1-[(4-2H)phényl]-1H-pyrazole [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 272.5±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.0±3.0 kJ/mol
Flash Point: 118.6±18.7 °C
Index of Refraction: 1.573
Molar Refractivity: 54.8±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 76.12
ACD/KOC (pH 5.5): 773.36
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.14
ACD/KOC (pH 7.4): 773.51
Polar Surface Area: 18 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 36.3±7.0 dyne/cm
Molar Volume: 166.3±7.0 cm3

Click to predict properties on the Chemicalize site


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