ChemSpider 2D Image | Methyl (3-bromopropoxy)acetate | C6H11BrO3

Methyl (3-bromopropoxy)acetate

  • Molecular FormulaC6H11BrO3
  • Average mass211.054 Da
  • Monoisotopic mass209.989151 Da
  • ChemSpider ID60799619

More details:

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

(3-Bromopropoxy)acétate de méthyle [French] [ACD/IUPAC Name]
433213-11-7 [RN]
Acetic acid, 2-(3-bromopropoxy)-, methyl ester [ACD/Index Name]
Methyl (3-bromopropoxy)acetate [ACD/IUPAC Name]
Methyl 2-(3-Bromopropoxy)acetate
Methyl-(3-brompropoxy)acetat [German] [ACD/IUPAC Name]
95%
CS-12857
MFCD24459657

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 230.3±15.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 46.7±3.0 kJ/mol
    Flash Point: 93.1±20.4 °C
    Index of Refraction: 1.458
    Molar Refractivity: 41.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.30
    ACD/LogD (pH 5.5): 1.34
    ACD/BCF (pH 5.5): 6.18
    ACD/KOC (pH 5.5): 128.18
    ACD/LogD (pH 7.4): 1.34
    ACD/BCF (pH 7.4): 6.18
    ACD/KOC (pH 7.4): 128.18
    Polar Surface Area: 36 Å2
    Polarizability: 16.3±0.5 10-24cm3
    Surface Tension: 35.4±3.0 dyne/cm
    Molar Volume: 150.6±3.0 cm3

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