ChemSpider 2D Image | 3-[4-(Trifluoromethyl)phenyl]propanal | C10H9F3O

3-[4-(Trifluoromethyl)phenyl]propanal

  • Molecular FormulaC10H9F3O
  • Average mass202.173 Da
  • Monoisotopic mass202.060547 Da
  • ChemSpider ID13600301

More details:

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

166947-09-7 [RN]
3-[4-(Trifluormethyl)phenyl]propanal [German] [ACD/IUPAC Name]
3-[4-(Trifluoromethyl)phenyl]propanal [ACD/IUPAC Name]
3-[4-(Trifluorométhyl)phényl]propanal [French] [ACD/IUPAC Name]
Benzenepropanal, 4-(trifluoromethyl)- [ACD/Index Name]
[166947-09-7] [RN]
3-(4-(trifluoromethyl)phenyl)propanal
3-(4-(trifluoromethyl)phenyl)propionaldehyde
3-(4'-(Trifluoromethyl)phenyl)propionaldehyde
3-(4-Trifluoromethylphenyl)propanal
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 216.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 45.3±3.0 kJ/mol
    Flash Point: 96.4±17.4 °C
    Index of Refraction: 1.450
    Molar Refractivity: 45.6±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.61
    ACD/LogD (pH 5.5): 2.62
    ACD/BCF (pH 5.5): 57.37
    ACD/KOC (pH 5.5): 631.67
    ACD/LogD (pH 7.4): 2.62
    ACD/BCF (pH 7.4): 57.37
    ACD/KOC (pH 7.4): 631.67
    Polar Surface Area: 17 Å2
    Polarizability: 18.1±0.5 10-24cm3
    Surface Tension: 27.9±3.0 dyne/cm
    Molar Volume: 169.6±3.0 cm3

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