ChemSpider 2D Image | Methyl 3-cyano-5-(trifluoromethoxy)benzoate | C10H6F3NO3

Methyl 3-cyano-5-(trifluoromethoxy)benzoate

  • Molecular FormulaC10H6F3NO3
  • Average mass245.155 Da
  • Monoisotopic mass245.029984 Da
  • ChemSpider ID57382808

More details:

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

1306763-54-1 [RN]
3-Cyano-5-(trifluorométhoxy)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-cyano-5-(trifluoromethoxy)-, methyl ester [ACD/Index Name]
Methyl 3-cyano-5-(trifluoromethoxy)benzoate [ACD/IUPAC Name]
Methyl-3-cyan-5-(trifluormethoxy)benzoat [German] [ACD/IUPAC Name]
95%
MFCD28782121

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 266.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.5±3.0 kJ/mol
    Flash Point: 115.0±27.3 °C
    Index of Refraction: 1.476
    Molar Refractivity: 49.2±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.62
    ACD/LogD (pH 5.5): 2.67
    ACD/BCF (pH 5.5): 63.45
    ACD/KOC (pH 5.5): 678.90
    ACD/LogD (pH 7.4): 2.67
    ACD/BCF (pH 7.4): 63.45
    ACD/KOC (pH 7.4): 678.90
    Polar Surface Area: 59 Å2
    Polarizability: 19.5±0.5 10-24cm3
    Surface Tension: 40.3±5.0 dyne/cm
    Molar Volume: 174.3±5.0 cm3

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