ChemSpider 2D Image | (3,5-~2~H_2_)-1H-Pyrazole | C3H2D2N2

(3,5-2H2)-1H-Pyrazole

  • Molecular FormulaC3H2D2N2
  • Average mass70.090 Da
  • Monoisotopic mass70.050003 Da
  • ChemSpider ID10564426

  • Non-standard isotope - Non-standard isotope

More details:

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

(3,5-2H2)-1H-Pyrazol [German] [ACD/IUPAC Name]
(3,5-2H2)-1H-Pyrazole [ACD/IUPAC Name]
(3,5-2H2)-1H-Pyrazole [French] [ACD/IUPAC Name]
1H-Pyrazole-3,5-d2 [ACD/Index 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: 187.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.6±3.0 kJ/mol
Flash Point: 87.5±11.7 °C
Index of Refraction: 1.528
Molar Refractivity: 18.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.25
ACD/KOC (pH 5.5): 40.75
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.25
ACD/KOC (pH 7.4): 40.92
Polar Surface Area: 29 Å2
Polarizability: 7.4±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 61.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement