ChemSpider 2D Image | 2,2,2-Trifluoroethyl 2-oxopropanoate | C5H5F3O3

2,2,2-Trifluoroethyl 2-oxopropanoate

  • Molecular FormulaC5H5F3O3
  • Average mass170.087 Da
  • Monoisotopic mass170.019073 Da
  • ChemSpider ID60826879

More details:

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

2,2,2-Trifluorethyl-2-oxopropanoat [German] [ACD/IUPAC Name]
2,2,2-Trifluoroethyl 2-oxopropanoate [ACD/IUPAC Name]
2-Oxopropanoate de 2,2,2-trifluoroéthyle [French] [ACD/IUPAC Name]
Propanoic acid, 2-oxo-, 2,2,2-trifluoroethyl ester [ACD/Index Name]
887375-48-6 [RN]
MFCD24711038

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

Density: 1.3±0.1 g/cm3
Boiling Point: 131.1±40.0 °C at 760 mmHg
Vapour Pressure: 9.4±0.2 mmHg at 25°C
Enthalpy of Vaporization: 36.9±3.0 kJ/mol
Flash Point: 33.0±22.2 °C
Index of Refraction: 1.349
Molar Refractivity: 27.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.22
ACD/KOC (pH 5.5): 80.34
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.22
ACD/KOC (pH 7.4): 80.34
Polar Surface Area: 43 Å2
Polarizability: 10.9±0.5 10-24cm3
Surface Tension: 24.4±3.0 dyne/cm
Molar Volume: 128.1±3.0 cm3

Click to predict properties on the Chemicalize site


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