ChemSpider 2D Image | (2E)-4-Oxo-4-phenyl-2-buten-2-yl trifluoromethanesulfonate | C11H9F3O4S

(2E)-4-Oxo-4-phenyl-2-buten-2-yl trifluoromethanesulfonate

  • Molecular FormulaC11H9F3O4S
  • Average mass294.247 Da
  • Monoisotopic mass294.017365 Da
  • ChemSpider ID30658754

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-Oxo-4-phenyl-2-buten-2-yl trifluoromethanesulfonate [ACD/IUPAC Name]
(2E)-4-Oxo-4-phenyl-2-buten-2-yl-trifluormethansulfonat [German] [ACD/IUPAC Name]
Methanesulfonic acid, 1,1,1-trifluoro-, (1E)-1-methyl-3-oxo-3-phenyl-1-propen-1-yl ester [ACD/Index Name]
Trifluorométhanesulfonate de (2E)-4-oxo-4-phényl-2-butén-2-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 332.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.5±3.0 kJ/mol
Flash Point: 154.7±27.9 °C
Index of Refraction: 1.496
Molar Refractivity: 60.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 227.25
ACD/KOC (pH 5.5): 1691.95
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 227.25
ACD/KOC (pH 7.4): 1691.95
Polar Surface Area: 69 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 207.7±3.0 cm3

Click to predict properties on the Chemicalize site


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