ChemSpider 2D Image | 1-(~2~H_3_)Methyl-3-propyl-1H-pyrazole-5-carboxylic acid | C8H9D3N2O2

1-(2H3)Methyl-3-propyl-1H-pyrazole-5-carboxylic acid

  • Molecular FormulaC8H9D3N2O2
  • Average mass171.212 Da
  • Monoisotopic mass171.108704 Da
  • ChemSpider ID107433928

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(2H3)Methyl-3-propyl-1H-pyrazol-5-carbonsäure [German] [ACD/IUPAC Name]
1-(2H3)Methyl-3-propyl-1H-pyrazole-5-carboxylic acid [ACD/IUPAC Name]
1H-Pyrazole-5-carboxylic acid, 1-(methyl-d3)-3-propyl- [ACD/Index Name]
Acide 1-(2H3)méthyl-3-propyl-1H-pyrazole-5-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 330.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.5±3.0 kJ/mol
Flash Point: 153.5±24.6 °C
Index of Refraction: 1.554
Molar Refractivity: 45.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 55 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 41.7±7.0 dyne/cm
Molar Volume: 141.1±7.0 cm3

Click to predict properties on the Chemicalize site


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