ChemSpider 2D Image | Trifluoromethyl 3-oxobutanoate | C5H5F3O3

Trifluoromethyl 3-oxobutanoate

  • Molecular FormulaC5H5F3O3
  • Average mass170.087 Da
  • Monoisotopic mass170.019073 Da
  • ChemSpider ID28568066

More details:

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

3-Oxobutanoate de trifluorométhyle [French] [ACD/IUPAC Name]
Butanoic acid, 3-oxo-, trifluoromethyl ester [ACD/Index Name]
Trifluormethyl-3-oxobutanoat [German] [ACD/IUPAC Name]
Trifluoromethyl 3-oxobutanoate [ACD/IUPAC Name]
668980-87-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 139.7±40.0 °C at 760 mmHg
Vapour Pressure: 6.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.7±3.0 kJ/mol
Flash Point: 38.0±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: 2.34
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.08
ACD/KOC (pH 5.5): 95.07
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 2.77
ACD/KOC (pH 7.4): 64.57
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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