ChemSpider 2D Image | 1,1,1-Trifluoro-4-methyl-3-penten-2-one | C6H7F3O

1,1,1-Trifluoro-4-methyl-3-penten-2-one

  • Molecular FormulaC6H7F3O
  • Average mass152.114 Da
  • Monoisotopic mass152.044907 Da
  • ChemSpider ID10769980

More details:

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

1,1,1-Trifluor-4-methyl-3-penten-2-on [German] [ACD/IUPAC Name]
1,1,1-Trifluoro-4-methyl-3-penten-2-one [ACD/IUPAC Name]
1,1,1-Trifluoro-4-méthyl-3-pentén-2-one [French] [ACD/IUPAC Name]
1,1,1-Trifluoro-4-methyl-3-pentene-2-one
3-Penten-2-one, 1,1,1-trifluoro-4-methyl- [ACD/Index Name]
400-31-7 [RN]
1,1,1-TRIFLUORO-4-METHYLPENT-3-EN-2-ONE
1,1,1-trifluoro-4-methylpent-3-en-2-one(WXC08489)
3-PENTEN-2-ONE,1,1,1-TRIFLUORO-4-METHYL-
MFCD17011850

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 70.7±40.0 °C at 760 mmHg
    Vapour Pressure: 127.4±0.1 mmHg at 25°C
    Enthalpy of Vaporization: 31.2±3.0 kJ/mol
    Flash Point: 17.9±18.8 °C
    Index of Refraction: 1.367
    Molar Refractivity: 30.2±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.64
    ACD/LogD (pH 5.5): 2.36
    ACD/BCF (pH 5.5): 36.55
    ACD/KOC (pH 5.5): 457.45
    ACD/LogD (pH 7.4): 2.36
    ACD/BCF (pH 7.4): 36.55
    ACD/KOC (pH 7.4): 457.45
    Polar Surface Area: 17 Å2
    Polarizability: 12.0±0.5 10-24cm3
    Surface Tension: 19.6±3.0 dyne/cm
    Molar Volume: 134.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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