ChemSpider 2D Image | 3-Isobutoxy-5-isopropoxybenzoic acid | C14H20O4

3-Isobutoxy-5-isopropoxybenzoic acid

  • Molecular FormulaC14H20O4
  • Average mass252.306 Da
  • Monoisotopic mass252.136154 Da
  • ChemSpider ID29304240

More details:

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

3-Isobutoxy-5-isopropoxybenzoesäure [German] [ACD/IUPAC Name]
3-Isobutoxy-5-isopropoxybenzoic acid [ACD/IUPAC Name]
Acide 3-isobutoxy-5-isopropoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(1-methylethoxy)-5-(2-methylpropoxy)- [ACD/Index Name]
[852520-45-7] [RN]
3-(2-Methylpropoxy)-5-(propan-2-yloxy)benzoic acid
3-(2-Methylpropoxy)-5-(propan-2-yloxy)benzoicacid
3-(2-methylpropoxy)-5-propan-2-yloxybenzoic acid
3-ISOPROPOXY-5-(2-METHYLPROPOXY)BENZOIC ACID
852520-45-7 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 386.6±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 67.0±3.0 kJ/mol
    Flash Point: 140.1±15.8 °C
    Index of Refraction: 1.509
    Molar Refractivity: 69.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.31
    ACD/LogD (pH 5.5): 2.44
    ACD/BCF (pH 5.5): 17.90
    ACD/KOC (pH 5.5): 99.92
    ACD/LogD (pH 7.4): 1.01
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.73
    Polar Surface Area: 56 Å2
    Polarizability: 27.6±0.5 10-24cm3
    Surface Tension: 37.3±3.0 dyne/cm
    Molar Volume: 233.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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