ChemSpider 2D Image | Methyl 3-bromo-4-isopropylbenzoate | C11H13BrO2

Methyl 3-bromo-4-isopropylbenzoate

  • Molecular FormulaC11H13BrO2
  • Average mass257.124 Da
  • Monoisotopic mass256.009888 Da
  • ChemSpider ID10713214

More details:

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

318528-55-1 [RN]
3-Bromo-4-isopropylbenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-4-(1-methylethyl)-, methyl ester [ACD/Index Name]
Methyl 3-bromo-4-(1-methylethyl)benzoate
Methyl 3-bromo-4-isopropylbenzoate [ACD/IUPAC Name]
Methyl-3-brom-4-isopropylbenzoat [German] [ACD/IUPAC Name]
[318528-55-1] [RN]
3-bromo-4-propan-2-ylbenzoic acid methyl ester
6-Methylimidazo[2,1-b]thiazole-5-carbaldehyde
methyl 3-bromo-4-(methylethyl)benzoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 298.7±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.9±3.0 kJ/mol
    Flash Point: 134.4±21.8 °C
    Index of Refraction: 1.531
    Molar Refractivity: 59.9±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.22
    ACD/LogD (pH 5.5): 3.77
    ACD/BCF (pH 5.5): 428.37
    ACD/KOC (pH 5.5): 2663.56
    ACD/LogD (pH 7.4): 3.77
    ACD/BCF (pH 7.4): 428.37
    ACD/KOC (pH 7.4): 2663.56
    Polar Surface Area: 26 Å2
    Polarizability: 23.7±0.5 10-24cm3
    Surface Tension: 37.1±3.0 dyne/cm
    Molar Volume: 193.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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