ChemSpider 2D Image | 2-Oxiranylmethyl (9Z,12Z)-9,12-octadecadienoate | C21H36O3

2-Oxiranylmethyl (9Z,12Z)-9,12-octadecadienoate

  • Molecular FormulaC21H36O3
  • Average mass336.509 Da
  • Monoisotopic mass336.266449 Da
  • ChemSpider ID23288486

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z,12Z)-9,12-Octadécadiénoate de 2-oxiranylméthyle [French] [ACD/IUPAC Name]
24305-63-3 [RN]
2-Oxiranylmethyl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
2-Oxiranylmethyl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, oxiranylmethyl ester, (9Z,12Z)- [ACD/Index Name]
oxiran-2-ylmethyl (9Z,12Z)-octadeca-9,12-dienoate
(±)-oxiran-2-ylmethyl (9Z,12Z)-octadeca-9,12-dienoate
(9Z,12Z)-9,12-Octadecadienoic acid 2-oxiranylmethyl ester
(9Z,12Z)-oxiran-2-ylmethyl octadeca-9,12-dienoate
(Oxiran-2-yl)methyl (9Z,12Z)-octadeca-9,12-dienoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 431.6±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.7±3.0 kJ/mol
    Flash Point: 164.1±10.3 °C
    Index of Refraction: 1.483
    Molar Refractivity: 100.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 17
    #Rule of 5 Violations: 1
    ACD/LogP: 7.69
    ACD/LogD (pH 5.5): 6.86
    ACD/BCF (pH 5.5): 96253.51
    ACD/KOC (pH 5.5): 128442.39
    ACD/LogD (pH 7.4): 6.86
    ACD/BCF (pH 7.4): 96253.51
    ACD/KOC (pH 7.4): 128442.39
    Polar Surface Area: 39 Å2
    Polarizability: 40.0±0.5 10-24cm3
    Surface Tension: 35.9±3.0 dyne/cm
    Molar Volume: 353.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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