ChemSpider 2D Image | (~2~H_5_)Ethyl stearate | C20H35D5O2

(2H5)Ethyl stearate

  • Molecular FormulaC20H35D5O2
  • Average mass317.561 Da
  • Monoisotopic mass317.334229 Da
  • ChemSpider ID28591618

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H5)Ethyl stearate [ACD/IUPAC Name]
(2H5)Ethylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, ethyl-d5 ester [ACD/Index Name]
Stéarate de (2H5)éthyle [French] [ACD/IUPAC Name]
1,1,2,2,2-pentadeuterioethyl octadecanoate
111-61-5 [RN]
1216808-22-8 [RN]
ETHYL STEARATE-D5

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 356.0±0.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.1±3.0 kJ/mol
    Flash Point: 161.0±7.5 °C
    Index of Refraction: 1.446
    Molar Refractivity: 96.5±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 18
    #Rule of 5 Violations: 1
    ACD/LogP: 9.21
    ACD/LogD (pH 5.5): 8.98
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 1838267.00
    ACD/LogD (pH 7.4): 8.98
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 1838267.00
    Polar Surface Area: 26 Å2
    Polarizability: 38.2±0.5 10-24cm3
    Surface Tension: 30.7±3.0 dyne/cm
    Molar Volume: 362.2±3.0 cm3

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