ChemSpider 2D Image | 3-[(E)-2-Cyano-2-(2-fluorophenyl)vinyl]phenyl 3-(4-methylphenyl)propanoate | C25H20FNO2

3-[(E)-2-Cyano-2-(2-fluorophenyl)vinyl]phenyl 3-(4-methylphenyl)propanoate

  • Molecular FormulaC25H20FNO2
  • Average mass385.430 Da
  • Monoisotopic mass385.147797 Da
  • ChemSpider ID30866610

  • Double-bond stereo - Double-bond stereo

More details:

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

3-(4-Méthylphényl)propanoate de 3-[(E)-2-cyano-2-(2-fluorophényl)vinyl]phényle [French] [ACD/IUPAC Name]
3-[(E)-2-Cyan-2-(2-fluorphenyl)vinyl]phenyl-3-(4-methylphenyl)propanoat [German] [ACD/IUPAC Name]
3-[(E)-2-Cyano-2-(2-fluorophenyl)vinyl]phenyl 3-(4-methylphenyl)propanoate [ACD/IUPAC Name]
Benzenepropanoic acid, 4-methyl-, 3-[(E)-2-cyano-2-(2-fluorophenyl)ethenyl]phenyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 545.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.4±30.1 °C
Index of Refraction: 1.615
Molar Refractivity: 112.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12534.10
ACD/KOC (pH 5.5): 29854.05
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12534.10
ACD/KOC (pH 7.4): 29854.05
Polar Surface Area: 50 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 321.2±3.0 cm3

Click to predict properties on the Chemicalize site


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