ChemSpider 2D Image | Methyl 3-bromo-5-propoxybenzoate | C11H13BrO3

Methyl 3-bromo-5-propoxybenzoate

  • Molecular FormulaC11H13BrO3
  • Average mass273.123 Da
  • Monoisotopic mass272.004791 Da
  • ChemSpider ID26541744

More details:

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

3-Bromo-5-propoxybenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-5-propoxy-, methyl ester [ACD/Index Name]
Methyl 3-bromo-5-propoxybenzoate [ACD/IUPAC Name]
Methyl-3-brom-5-propoxybenzoat [German] [ACD/IUPAC Name]
[1261956-31-3] [RN]
1261956-31-3 [RN]
96%
methyl3-bromo-5-propoxybenzoate
methyl-3-bromo-5-propoxybenzoate
MFCD18311870 [MDL number]
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 318.6±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.0±3.0 kJ/mol
    Flash Point: 146.5±22.3 °C
    Index of Refraction: 1.527
    Molar Refractivity: 61.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.95
    ACD/LogD (pH 5.5): 3.63
    ACD/BCF (pH 5.5): 339.14
    ACD/KOC (pH 5.5): 2253.44
    ACD/LogD (pH 7.4): 3.63
    ACD/BCF (pH 7.4): 339.14
    ACD/KOC (pH 7.4): 2253.44
    Polar Surface Area: 36 Å2
    Polarizability: 24.4±0.5 10-24cm3
    Surface Tension: 38.3±3.0 dyne/cm
    Molar Volume: 200.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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