ChemSpider 2D Image | 2,2-Difluoroethyl 3-isobutyl-1H-pyrazole-5-carboxylate | C10H14F2N2O2

2,2-Difluoroethyl 3-isobutyl-1H-pyrazole-5-carboxylate

  • Molecular FormulaC10H14F2N2O2
  • Average mass232.227 Da
  • Monoisotopic mass232.102341 Da
  • ChemSpider ID30168328

More details:

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

1H-Pyrazole-5-carboxylic acid, 3-(2-methylpropyl)-, 2,2-difluoroethyl ester [ACD/Index Name]
2,2-Difluorethyl-3-isobutyl-1H-pyrazol-5-carboxylat [German] [ACD/IUPAC Name]
2,2-Difluoroethyl 3-isobutyl-1H-pyrazole-5-carboxylate [ACD/IUPAC Name]
3-Isobutyl-1H-pyrazole-5-carboxylate de 2,2-difluoroéthyle [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: 347.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.2±3.0 kJ/mol
Flash Point: 164.0±27.9 °C
Index of Refraction: 1.474
Molar Refractivity: 54.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 44.85
ACD/KOC (pH 5.5): 529.64
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 44.85
ACD/KOC (pH 7.4): 529.57
Polar Surface Area: 55 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 192.9±3.0 cm3

Click to predict properties on the Chemicalize site


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