ChemSpider 2D Image | ethyl 4-[3-(difluoromethyl)pyrazol-1-yl]butanoate | C10H14F2N2O2

ethyl 4-[3-(difluoromethyl)pyrazol-1-yl]butanoate

  • Molecular FormulaC10H14F2N2O2
  • Average mass232.227 Da
  • Monoisotopic mass232.102341 Da
  • ChemSpider ID64833766

More details:

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

1H-Pyrazole-1-butanoic acid, 3-(difluoromethyl)-, ethyl ester [ACD/Index Name]
2101197-97-9 [RN]
4-[3-(Difluorométhyl)-1H-pyrazol-1-yl]butanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[3-(difluoromethyl)-1H-pyrazol-1-yl]butanoate [ACD/IUPAC Name]
ethyl 4-[3-(difluoromethyl)pyrazol-1-yl]butanoate
Ethyl-4-[3-(difluormethyl)-1H-pyrazol-1-yl]butanoat [German] [ACD/IUPAC Name]
MFCD31417727

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

Density: 1.2±0.1 g/cm3
Boiling Point: 311.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.2±3.0 kJ/mol
Flash Point: 142.1±27.9 °C
Index of Refraction: 1.492
Molar Refractivity: 54.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 17.03
ACD/KOC (pH 5.5): 264.78
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 17.03
ACD/KOC (pH 7.4): 264.78
Polar Surface Area: 44 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 34.0±7.0 dyne/cm
Molar Volume: 189.3±7.0 cm3

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