ChemSpider 2D Image | 3-(Trifluoromethyl)-1,2-oxazol-5(4H)-one | C4H2F3NO2

3-(Trifluoromethyl)-1,2-oxazol-5(4H)-one

  • Molecular FormulaC4H2F3NO2
  • Average mass153.059 Da
  • Monoisotopic mass153.003769 Da
  • ChemSpider ID65329644

More details:

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

3-(Trifluormethyl)-1,2-oxazol-5(4H)-on [German] [ACD/IUPAC Name]
3-(Trifluoromethyl)-1,2-oxazol-5(4H)-one [ACD/IUPAC Name]
3-(Trifluorométhyl)-1,2-oxazol-5(4H)-one [French] [ACD/IUPAC Name]
5(4H)-Isoxazolone, 3-(trifluoromethyl)- [ACD/Index Name]
1599412-43-7 [RN]
3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-one
MFCD30289117

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

Density: 1.7±0.1 g/cm3
Boiling Point: 61.6±50.0 °C at 760 mmHg
Vapour Pressure: 184.2±0.1 mmHg at 25°C
Enthalpy of Vaporization: 30.4±3.0 kJ/mol
Flash Point: -8.9±30.1 °C
Index of Refraction: 1.438
Molar Refractivity: 23.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.34
ACD/KOC (pH 5.5): 115.41
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.34
ACD/KOC (pH 7.4): 115.41
Polar Surface Area: 39 Å2
Polarizability: 9.5±0.5 10-24cm3
Surface Tension: 30.8±7.0 dyne/cm
Molar Volume: 90.8±7.0 cm3

Click to predict properties on the Chemicalize site


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