ChemSpider 2D Image | ETHYL 3-(METHYL-D3-MERCAPTO)PROPIONATE | C6H9D3O2S

ETHYL 3-(METHYL-D3-MERCAPTO)PROPIONATE

  • Molecular FormulaC6H9D3O2S
  • Average mass151.242 Da
  • Monoisotopic mass151.074631 Da
  • ChemSpider ID23936104

  • Non-standard isotope - Non-standard isotope

More details:

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

1020719-41-8 [RN]
3-[(2H3)Méthylsulfanyl]propanoate d'éthyle [French] [ACD/IUPAC Name]
ETHYL 3-(METHYL-D3-MERCAPTO)PROPIONATE
Ethyl 3-[(2H3)methylsulfanyl]propanoate [ACD/IUPAC Name]
Ethyl-3-[(2H3)methylsulfanyl]propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-(methyl-d3-thio)-, ethyl ester [ACD/Index Name]
ethyl 3-(trideuteriomethylsulfanyl)propanoate
Ethyl 3-?Methyl-d3-mercapto?propionate

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 200.5±23.0 °C at 760 mmHg
    Vapour Pressure: 0.3±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 43.7±3.0 kJ/mol
    Flash Point: 81.0±10.6 °C
    Index of Refraction: 1.459
    Molar Refractivity: 39.6±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.57
    ACD/LogD (pH 5.5): 1.86
    ACD/BCF (pH 5.5): 15.19
    ACD/KOC (pH 5.5): 243.97
    ACD/LogD (pH 7.4): 1.86
    ACD/BCF (pH 7.4): 15.19
    ACD/KOC (pH 7.4): 243.97
    Polar Surface Area: 52 Å2
    Polarizability: 15.7±0.5 10-24cm3
    Surface Tension: 32.5±3.0 dyne/cm
    Molar Volume: 145.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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