ChemSpider 2D Image | (9Z)-12-Hydroxy(13,13,14,14,15,15,16,16,17,17,18,18,18-~2~H_13_)-9-octadecenoic acid | C18H21D13O3

(9Z)-12-Hydroxy(13,13,14,14,15,15,16,16,17,17,18,18,18-2H13)-9-octadecenoic acid

  • Molecular FormulaC18H21D13O3
  • Average mass311.541 Da
  • Monoisotopic mass311.332397 Da
  • ChemSpider ID48061223

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(9Z)-12-Hydroxy(13,13,14,14,15,15,16,16,17,17,18,18,18-2H13)-9-octadecenoic acid [ACD/IUPAC Name]
(9Z)-12-Hydroxy(13,13,14,14,15,15,16,16,17,17,18,18,18-2H13)-9-octadecensäure [German] [ACD/IUPAC Name]
9-Octadecenoic-13,13,14,14,15,15,16,16,17,17,18,18,18-d13 acid, 12-hydroxy-, (9Z)- [ACD/Index Name]
Acide (9Z)-12-hydroxy(13,13,14,14,15,15,16,16,17,17,18,18,18-2H13)-9-octadécénoïque [French] [ACD/IUPAC Name]
(Z)-13,13,14,14,15,15,16,16,17,17,18,18,18-tridecadeuterio-12-hydroxyoctadec-9-enoic acid
1185241-50-2 [RN]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 416.4±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.4±6.0 kJ/mol
    Flash Point: 219.8±18.3 °C
    Index of Refraction: 1.480
    Molar Refractivity: 88.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 1
    ACD/LogP: 5.70
    ACD/LogD (pH 5.5): 4.67
    ACD/BCF (pH 5.5): 1350.21
    ACD/KOC (pH 5.5): 3593.63
    ACD/LogD (pH 7.4): 2.88
    ACD/BCF (pH 7.4): 21.65
    ACD/KOC (pH 7.4): 57.63
    Polar Surface Area: 58 Å2
    Polarizability: 35.1±0.5 10-24cm3
    Surface Tension: 37.5±3.0 dyne/cm
    Molar Volume: 311.8±3.0 cm3

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