ChemSpider 2D Image | 22-[(2-Methyl-2-propanyl)oxy]-22-oxodocosanoic acid | C26H50O4

22-[(2-Methyl-2-propanyl)oxy]-22-oxodocosanoic acid

  • Molecular FormulaC26H50O4
  • Average mass426.673 Da
  • Monoisotopic mass426.370911 Da
  • ChemSpider ID59719608

More details:

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

22-[(2-Methyl-2-propanyl)oxy]-22-oxodocosanoic acid [ACD/IUPAC Name]
22-[(2-Methyl-2-propanyl)oxy]-22-oxodocosansäure [German] [ACD/IUPAC Name]
Acide 22-[(2-méthyl-2-propanyl)oxy]-22-oxodocosanoïque [French] [ACD/IUPAC Name]
Docosanedioic acid, mono(1,1-dimethylethyl) ester [ACD/Index Name]
1642333-05-8 [RN]
22-(tert-Butoxy)-22-oxodocosanoic acid
22-(tert-Butoxy)-22-oxodocosanoic acid|Docosandioic acid mono-tert-butyl ester
Docosandioic acid mono-tert-butyl ester
Docosandioic acid, mono-tert-butyl ester
MFCD30830215

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 520.4±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 86.8±6.0 kJ/mol
    Flash Point: 157.3±16.1 °C
    Index of Refraction: 1.464
    Molar Refractivity: 125.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 23
    #Rule of 5 Violations: 1
    ACD/LogP: 9.93
    ACD/LogD (pH 5.5): 8.16
    ACD/BCF (pH 5.5): 601143.75
    ACD/KOC (pH 5.5): 283067.81
    ACD/LogD (pH 7.4): 6.36
    ACD/BCF (pH 7.4): 9643.85
    ACD/KOC (pH 7.4): 4541.12
    Polar Surface Area: 64 Å2
    Polarizability: 49.9±0.5 10-24cm3
    Surface Tension: 34.9±3.0 dyne/cm
    Molar Volume: 455.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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