ChemSpider 2D Image | Ethyl 3-(chloromethyl)benzoate | C10H11ClO2

Ethyl 3-(chloromethyl)benzoate

  • Molecular FormulaC10H11ClO2
  • Average mass198.646 Da
  • Monoisotopic mass198.044754 Da
  • ChemSpider ID13481807

More details:

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

3-(Chlorométhyl)benzoate d'éthyle [French] [ACD/IUPAC Name]
54589-54-7 [RN]
Benzoic acid, 3-(chloromethyl)-, ethyl ester [ACD/Index Name]
Ethyl 3-(chloromethyl)benzoate [ACD/IUPAC Name]
Ethyl-3-(chlormethyl)benzoat [German] [ACD/IUPAC Name]
[54589-54-7] [RN]
3-(chloromethyl)benzoic acid ethyl ester
3-(chloromethyl)-benzoic acid ethyl ester
3-(Ethoxycarbonyl)benzyl chloride
Boc-Cholecystokinin Octapeptide (3-8)
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 292.3±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.2±3.0 kJ/mol
    Flash Point: 143.0±18.1 °C
    Index of Refraction: 1.523
    Molar Refractivity: 52.4±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.00
    ACD/LogD (pH 5.5): 2.95
    ACD/BCF (pH 5.5): 102.76
    ACD/KOC (pH 5.5): 958.66
    ACD/LogD (pH 7.4): 2.95
    ACD/BCF (pH 7.4): 102.76
    ACD/KOC (pH 7.4): 958.66
    Polar Surface Area: 26 Å2
    Polarizability: 20.8±0.5 10-24cm3
    Surface Tension: 38.5±3.0 dyne/cm
    Molar Volume: 171.5±3.0 cm3

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