ChemSpider 2D Image | Methyl 3,5-difluoro-4-formylbenzoate | C9H6F2O3

Methyl 3,5-difluoro-4-formylbenzoate

  • Molecular FormulaC9H6F2O3
  • Average mass200.139 Da
  • Monoisotopic mass200.028503 Da
  • ChemSpider ID45555420

More details:

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

1415124-73-0 [RN]
3,5-Difluoro-4-formylbenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-difluoro-4-formyl-, methyl ester [ACD/Index Name]
Methyl 3,5-difluoro-4-formylbenzoate [ACD/IUPAC Name]
Methyl-3,5-difluor-4-formylbenzoat [German] [ACD/IUPAC Name]
DS-12367
MFCD28525711

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 293.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.3±3.0 kJ/mol
    Flash Point: 127.3±22.2 °C
    Index of Refraction: 1.519
    Molar Refractivity: 44.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.78
    ACD/LogD (pH 5.5): 2.19
    ACD/BCF (pH 5.5): 27.44
    ACD/KOC (pH 5.5): 372.59
    ACD/LogD (pH 7.4): 2.19
    ACD/BCF (pH 7.4): 27.44
    ACD/KOC (pH 7.4): 372.59
    Polar Surface Area: 43 Å2
    Polarizability: 17.7±0.5 10-24cm3
    Surface Tension: 40.3±3.0 dyne/cm
    Molar Volume: 147.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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