ChemSpider 2D Image | Methyl 4-fluoro-3-(trifluoromethyl)benzoate | C9H6F4O2

Methyl 4-fluoro-3-(trifluoromethyl)benzoate

  • Molecular FormulaC9H6F4O2
  • Average mass222.136 Da
  • Monoisotopic mass222.030396 Da
  • ChemSpider ID11183521

More details:

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

176694-36-3 [RN]
4-Fluoro-3-(trifluorométhyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-fluoro-3-(trifluoromethyl)-, methyl ester [ACD/Index Name]
Methyl 4-fluoro-3-(trifluoromethyl)benzoate [ACD/IUPAC Name]
Methyl-4-fluor-3-(trifluormethyl)benzoat [German] [ACD/IUPAC Name]
[176694-36-3] [RN]
4-fluoro-3-trifluoromethylbenzoic acid methyl ester
5-(3-Hydroxyphenyl)nicotinic acid [ACD/IUPAC Name]
ACMC-209ebw
AGN-PC-00OQD6
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 218.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 45.5±3.0 kJ/mol
    Flash Point: 83.7±22.2 °C
    Index of Refraction: 1.434
    Molar Refractivity: 43.0±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.36
    ACD/LogD (pH 5.5): 2.92
    ACD/BCF (pH 5.5): 97.97
    ACD/KOC (pH 5.5): 926.49
    ACD/LogD (pH 7.4): 2.92
    ACD/BCF (pH 7.4): 97.97
    ACD/KOC (pH 7.4): 926.49
    Polar Surface Area: 26 Å2
    Polarizability: 17.0±0.5 10-24cm3
    Surface Tension: 27.1±3.0 dyne/cm
    Molar Volume: 165.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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