ChemSpider 2D Image | ethyl 3-[3-(difluoromethyl)pyrazol-1-yl]butanoate | C10H14F2N2O2

ethyl 3-[3-(difluoromethyl)pyrazol-1-yl]butanoate

  • Molecular FormulaC10H14F2N2O2
  • Average mass232.227 Da
  • Monoisotopic mass232.102341 Da
  • ChemSpider ID64819669

More details:

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

1H-Pyrazole-1-propanoic acid, 3-(difluoromethyl)-β-methyl-, ethyl ester [ACD/Index Name]
2101198-07-4 [RN]
3-[3-(Difluorométhyl)-1H-pyrazol-1-yl]butanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate [ACD/IUPAC Name]
ethyl 3-[3-(difluoromethyl)pyrazol-1-yl]butanoate
Ethyl-3-[3-(difluormethyl)-1H-pyrazol-1-yl]butanoat [German] [ACD/IUPAC Name]
MFCD31417726

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

Density: 1.2±0.1 g/cm3
Boiling Point: 298.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.8±3.0 kJ/mol
Flash Point: 134.1±27.3 °C
Index of Refraction: 1.492
Molar Refractivity: 54.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.70
ACD/KOC (pH 5.5): 314.96
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.70
ACD/KOC (pH 7.4): 314.96
Polar Surface Area: 44 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 32.4±7.0 dyne/cm
Molar Volume: 188.5±7.0 cm3

Click to predict properties on the Chemicalize site


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