ChemSpider 2D Image | Ethyl 3-(2,2,2-trifluoro-1-hydroxyethyl)benzoate | C11H11F3O3

Ethyl 3-(2,2,2-trifluoro-1-hydroxyethyl)benzoate

  • Molecular FormulaC11H11F3O3
  • Average mass248.198 Da
  • Monoisotopic mass248.066025 Da
  • ChemSpider ID43055140

More details:

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

2006277-57-0 [RN]
3-(2,2,2-Trifluoro-1-hydroxyéthyl)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-(2,2,2-trifluoro-1-hydroxyethyl)-, ethyl ester [ACD/Index Name]
Ethyl 3-(2,2,2-trifluoro-1-hydroxyethyl)benzoate [ACD/IUPAC Name]
Ethyl-3-(2,2,2-trifluor-1-hydroxyethyl)benzoat [German] [ACD/IUPAC Name]
CS-12112
MFCD29035075

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 314.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.7±3.0 kJ/mol
    Flash Point: 144.1±27.9 °C
    Index of Refraction: 1.479
    Molar Refractivity: 54.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.54
    ACD/LogD (pH 5.5): 2.31
    ACD/BCF (pH 5.5): 33.66
    ACD/KOC (pH 5.5): 431.26
    ACD/LogD (pH 7.4): 2.31
    ACD/BCF (pH 7.4): 33.66
    ACD/KOC (pH 7.4): 431.23
    Polar Surface Area: 47 Å2
    Polarizability: 21.5±0.5 10-24cm3
    Surface Tension: 35.7±3.0 dyne/cm
    Molar Volume: 191.3±3.0 cm3

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