ChemSpider 2D Image | Trifluoromethyl 4-methylbenzenesulfonate | C8H7F3O3S

Trifluoromethyl 4-methylbenzenesulfonate

  • Molecular FormulaC8H7F3O3S
  • Average mass240.200 Da
  • Monoisotopic mass240.006805 Da
  • ChemSpider ID68899790

More details:

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

175676-42-3 [RN]
4-Méthylbenzènesulfonate de trifluorométhyle [French] [ACD/IUPAC Name]
Methanol, 1,1,1-trifluoro-, 1-(4-methylbenzenesulfonate)
Methanol, 1,1,1-trifluoro-, 4-methylbenzenesulfonate [ACD/Index Name]
Trifluormethyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
Trifluoromethyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
95%
MFCD31695793
trifluoromethyl 4-methylbenzene-1-sulfonate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 244.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 46.2±3.0 kJ/mol
    Flash Point: 101.8±27.3 °C
    Index of Refraction: 1.463
    Molar Refractivity: 46.9±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.82
    ACD/LogD (pH 5.5): 2.37
    ACD/BCF (pH 5.5): 37.37
    ACD/KOC (pH 5.5): 464.77
    ACD/LogD (pH 7.4): 2.37
    ACD/BCF (pH 7.4): 37.37
    ACD/KOC (pH 7.4): 464.77
    Polar Surface Area: 52 Å2
    Polarizability: 18.6±0.5 10-24cm3
    Surface Tension: 32.2±3.0 dyne/cm
    Molar Volume: 170.2±3.0 cm3

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