ChemSpider 2D Image | 3-Butoxy-4-chlorobenzoic acid | C11H13ClO3

3-Butoxy-4-chlorobenzoic acid

  • Molecular FormulaC11H13ClO3
  • Average mass228.672 Da
  • Monoisotopic mass228.055328 Da
  • ChemSpider ID26557583

More details:

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

1280786-97-1 [RN]
3-Butoxy-4-chlorbenzoesäure [German] [ACD/IUPAC Name]
3-Butoxy-4-chlorobenzoic acid [ACD/IUPAC Name]
Acide 3-butoxy-4-chlorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-butoxy-4-chloro- [ACD/Index Name]
[1280786-97-1] [RN]
3-Butoxy-4-chlorobenzoicacid
CA-5116
MFCD18434437 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 359.5±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 63.8±3.0 kJ/mol
    Flash Point: 171.2±22.3 °C
    Index of Refraction: 1.538
    Molar Refractivity: 58.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.32
    ACD/LogD (pH 5.5): 1.99
    ACD/BCF (pH 5.5): 7.56
    ACD/KOC (pH 5.5): 49.75
    ACD/LogD (pH 7.4): 0.64
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.25
    Polar Surface Area: 47 Å2
    Polarizability: 23.3±0.5 10-24cm3
    Surface Tension: 43.5±3.0 dyne/cm
    Molar Volume: 187.4±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement