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Search term: MF = 'C_{16}H_{19}BrO_{4}'
ChemSpider 2D Image | Methyl 3-(3-bromopropoxy)-5-(4-pentyn-1-yloxy)benzoate | C16H19BrO4

Methyl 3-(3-bromopropoxy)-5-(4-pentyn-1-yloxy)benzoate

  • Molecular FormulaC16H19BrO4
  • Average mass355.224 Da
  • Monoisotopic mass354.046661 Da
  • ChemSpider ID65323971

More details:

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

3-(3-Bromopropoxy)-5-(4-pentyn-1-yloxy)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-(3-bromopropoxy)-5-(4-pentyn-1-yloxy)-, methyl ester [ACD/Index Name]
Methyl 3-(3-bromopropoxy)-5-(4-pentyn-1-yloxy)benzoate [ACD/IUPAC Name]
Methyl-3-(3-brompropoxy)-5-(4-pentin-1-yloxy)benzoat [German] [ACD/IUPAC Name]
methyl 3-(3-bromopropoxy)-5 -(pent-4-yn-1-yloxy)benzoate
methyl 3-(3-bromopropoxy)-5-(pent-4-yn-1-yloxy)benzoate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 451.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.0±3.0 kJ/mol
    Flash Point: 226.7±28.7 °C
    Index of Refraction: 1.537
    Molar Refractivity: 84.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 0
    ACD/LogP: 3.97
    ACD/LogD (pH 5.5): 3.87
    ACD/BCF (pH 5.5): 512.07
    ACD/KOC (pH 5.5): 3026.51
    ACD/LogD (pH 7.4): 3.87
    ACD/BCF (pH 7.4): 512.07
    ACD/KOC (pH 7.4): 3026.51
    Polar Surface Area: 45 Å2
    Polarizability: 33.6±0.5 10-24cm3
    Surface Tension: 43.1±3.0 dyne/cm
    Molar Volume: 271.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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