ChemSpider 2D Image | 2-(Trifluoromethyl)-1,4-benzoquinone | C7H3F3O2

2-(Trifluoromethyl)-1,4-benzoquinone

  • Molecular FormulaC7H3F3O2
  • Average mass176.093 Da
  • Monoisotopic mass176.008514 Da
  • ChemSpider ID23351034

More details:

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

2-(Trifluormethyl)-1,4-benzochinon [German] [ACD/IUPAC Name]
2-(Trifluoromethyl)-1,4-benzoquinone [ACD/IUPAC Name]
2-(Trifluorométhyl)-1,4-benzoquinone [French] [ACD/IUPAC Name]
2,5-Cyclohexadiene-1,4-dione, 2-(trifluoromethyl)- [ACD/Index Name]
393-40-8 [RN]
2-(TRIFLUOROMETHYL)CYCLOHEXA-2,5-DIENE-1,4-DIONE
2-(TRIFLUOROMETHYL)CYCLOHEXA-2,5-DIENE-1,4-DIONE(WXG00208)
MFCD18449099

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 133.2±40.0 °C at 760 mmHg
    Vapour Pressure: 8.5±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 37.1±3.0 kJ/mol
    Flash Point: 34.3±24.1 °C
    Index of Refraction: 1.458
    Molar Refractivity: 31.9±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.04
    ACD/LogD (pH 5.5): 1.44
    ACD/BCF (pH 5.5): 7.36
    ACD/KOC (pH 5.5): 145.33
    ACD/LogD (pH 7.4): 1.44
    ACD/BCF (pH 7.4): 7.36
    ACD/KOC (pH 7.4): 145.33
    Polar Surface Area: 34 Å2
    Polarizability: 12.7±0.5 10-24cm3
    Surface Tension: 35.7±3.0 dyne/cm
    Molar Volume: 117.1±3.0 cm3

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