ChemSpider 2D Image | 8-[(2S,3S)-3-Octyl-2-oxiranyl]octanoic acid | C18H34O3

8-[(2S,3S)-3-Octyl-2-oxiranyl]octanoic acid

  • Molecular FormulaC18H34O3
  • Average mass298.461 Da
  • Monoisotopic mass298.250793 Da
  • ChemSpider ID31046305

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Oxiraneoctanoic acid, 3-octyl-, (2S,3S)- [ACD/Index Name]
8-[(2S,3S)-3-Octyl-2-oxiranyl]octanoic acid [ACD/IUPAC Name]
8-[(2S,3S)-3-Octyl-2-oxiranyl]octansäure [German] [ACD/IUPAC Name]
Acide 8-[(2S,3S)-3-octyl-2-oxiranyl]octanoïque [French] [ACD/IUPAC Name]
13980-07-9 [RN]
24560-98-3 [RN]
8-[(2S,3S)-3-octyloxiran-2-yl]octanoic acid
rac cis-9,10-Epoxystearic Acid
rac trans-9,10-Epoxystearic Acid

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 422.9±18.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.3±6.0 kJ/mol
    Flash Point: 141.1±14.7 °C
    Index of Refraction: 1.467
    Molar Refractivity: 86.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 1
    ACD/LogP: 6.14
    ACD/LogD (pH 5.5): 5.15
    ACD/BCF (pH 5.5): 3100.58
    ACD/KOC (pH 5.5): 6516.68
    ACD/LogD (pH 7.4): 3.35
    ACD/BCF (pH 7.4): 49.72
    ACD/KOC (pH 7.4): 104.50
    Polar Surface Area: 50 Å2
    Polarizability: 34.3±0.5 10-24cm3
    Surface Tension: 37.4±3.0 dyne/cm
    Molar Volume: 312.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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