ChemSpider 2D Image | (5,5,6,6-~2~H_4_)Hexadecanoic acid | C16H28D4O2

(5,5,6,6-2H4)Hexadecanoic acid

  • Molecular FormulaC16H28D4O2
  • Average mass260.449 Da
  • Monoisotopic mass260.265350 Da
  • ChemSpider ID24532612
  • Non-standard isotope - Non-standard isotope


More details:






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

(5,5,6,6-2H4)Hexadecanoic acid [ACD/IUPAC Name]
(5,5,6,6-2H4)Hexadecansäure [German] [ACD/IUPAC Name]
Acide (5,5,6,6-2H4)hexadécanoïque [French] [ACD/IUPAC Name]
Hexadecanoic-5,5,6,6-d4 acid [ACD/Index Name]
5,5,6,6-tetradeuteriohexadecanoic acid
75736-47-9 [RN]
Hexadecanoic-5,5,6,6-d4 Acid
Palmitic Acid, Cetylic Acid, Hexadecylic Acid

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 0.9±0.1 g/cm3
    Boiling Point: 340.6±5.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.7±3.0 kJ/mol
    Flash Point: 154.1±12.5 °C
    Index of Refraction: 1.454
    Molar Refractivity: 77.7±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 1
    ACD/LogP: 7.15
    ACD/LogD (pH 5.5): 6.23
    ACD/BCF (pH 5.5): 20524.43
    ACD/KOC (pH 5.5): 25237.96
    ACD/LogD (pH 7.4): 4.43
    ACD/BCF (pH 7.4): 329.27
    ACD/KOC (pH 7.4): 404.89
    Polar Surface Area: 37 Å2
    Polarizability: 30.8±0.5 10-24cm3
    Surface Tension: 33.4±3.0 dyne/cm
    Molar Volume: 287.3±3.0 cm3

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