ChemSpider 2D Image | Ethyl 4,4,4-trifluoro-3-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanoate | C10H12F3N3O4

Ethyl 4,4,4-trifluoro-3-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanoate

  • Molecular FormulaC10H12F3N3O4
  • Average mass295.215 Da
  • Monoisotopic mass295.078003 Da
  • ChemSpider ID64819644

More details:

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

1H-Pyrazole-1-propanoic acid, 5-methyl-3-nitro-β-(trifluoromethyl)-, ethyl ester [ACD/Index Name]
4,4,4-Trifluoro-3-(5-méthyl-3-nitro-1H-pyrazol-1-yl)butanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4,4,4-trifluoro-3-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanoate [ACD/IUPAC Name]
Ethyl-4,4,4-trifluor-3-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanoat [German] [ACD/IUPAC Name]
MFCD31417618

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

Density: 1.5±0.1 g/cm3
Boiling Point: 339.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.3±3.0 kJ/mol
Flash Point: 159.3±27.9 °C
Index of Refraction: 1.513
Molar Refractivity: 60.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.29
ACD/KOC (pH 5.5): 446.06
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.29
ACD/KOC (pH 7.4): 446.06
Polar Surface Area: 90 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 40.6±7.0 dyne/cm
Molar Volume: 202.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement