ChemSpider 2D Image | 15-[(2-Methyl-2-propanyl)oxy]-15-oxopentadecanoic acid | C19H36O4

15-[(2-Methyl-2-propanyl)oxy]-15-oxopentadecanoic acid

  • Molecular FormulaC19H36O4
  • Average mass328.487 Da
  • Monoisotopic mass328.261353 Da
  • ChemSpider ID59718042

More details:

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

15-[(2-Methyl-2-propanyl)oxy]-15-oxopentadecanoic acid [ACD/IUPAC Name]
15-[(2-Methyl-2-propanyl)oxy]-15-oxopentadecansäure [German] [ACD/IUPAC Name]
Acide 15-[(2-méthyl-2-propanyl)oxy]-15-oxopentadécanoïque [French] [ACD/IUPAC Name]
Pentadecanedioic acid, mono(1,1-dimethylethyl) ester [ACD/Index Name]
15-(tert-Butoxy)-15-oxopentadecanoic acid
905302-42-3 [RN]
MFCD30470973

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 431.1±18.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.3±6.0 kJ/mol
    Flash Point: 138.9±14.7 °C
    Index of Refraction: 1.461
    Molar Refractivity: 93.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 16
    #Rule of 5 Violations: 1
    ACD/LogP: 6.21
    ACD/LogD (pH 5.5): 4.91
    ACD/BCF (pH 5.5): 2038.55
    ACD/KOC (pH 5.5): 4832.04
    ACD/LogD (pH 7.4): 3.11
    ACD/BCF (pH 7.4): 32.70
    ACD/KOC (pH 7.4): 77.52
    Polar Surface Area: 64 Å2
    Polarizability: 37.0±0.5 10-24cm3
    Surface Tension: 35.3±3.0 dyne/cm
    Molar Volume: 340.3±3.0 cm3

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