ChemSpider 2D Image | 3-Ethoxy-4-[(3-methylbenzyl)oxy]benzoyl chloride | C17H17ClO3

3-Ethoxy-4-[(3-methylbenzyl)oxy]benzoyl chloride

  • Molecular FormulaC17H17ClO3
  • Average mass304.768 Da
  • Monoisotopic mass304.086609 Da
  • ChemSpider ID23079435

More details:

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

1160251-19-3 [RN]
3-Ethoxy-4-[(3-methylbenzyl)oxy]benzoyl chloride [ACD/IUPAC Name]
3-Ethoxy-4-[(3-methylbenzyl)oxy]benzoylchlorid [German] [ACD/IUPAC Name]
3-ethoxy-4-[(3-methylphenyl)methoxy]benzoyl chloride
Benzoyl chloride, 3-ethoxy-4-[(3-methylphenyl)methoxy]- [ACD/Index Name]
Chlorure de 3-éthoxy-4-[(3-méthylbenzyl)oxy]benzoyle [French] [ACD/IUPAC Name]
3-Ethoxy-4-((3-methylbenzyl)oxy)benzoyl chloride
benzoyl chloride, 3-ethoxy-4-[(3-methylphenyl)methoxy]
MFCD12197976 [MDL number]
VS-13932

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 437.3±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.4±3.0 kJ/mol
    Flash Point: 167.3±24.9 °C
    Index of Refraction: 1.565
    Molar Refractivity: 83.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 5.09
    ACD/LogD (pH 5.5): 4.60
    ACD/BCF (pH 5.5): 1846.98
    ACD/KOC (pH 5.5): 7581.08
    ACD/LogD (pH 7.4): 4.60
    ACD/BCF (pH 7.4): 1846.98
    ACD/KOC (pH 7.4): 7581.08
    Polar Surface Area: 36 Å2
    Polarizability: 33.2±0.5 10-24cm3
    Surface Tension: 41.7±3.0 dyne/cm
    Molar Volume: 257.3±3.0 cm3

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