ChemSpider 2D Image | Ethyl 2-[3-(methylsulfanyl)phenyl]ethyl oxalate | C13H16O4S

Ethyl 2-[3-(methylsulfanyl)phenyl]ethyl oxalate

  • Molecular FormulaC13H16O4S
  • Average mass268.329 Da
  • Monoisotopic mass268.076935 Da
  • ChemSpider ID35325989

More details:

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

1443353-86-3 [RN]
Ethanedioic acid, ethyl 2-[3-(methylthio)phenyl]ethyl ester [ACD/Index Name]
Ethyl 2-[3-(methylsulfanyl)phenyl]ethyl oxalate [ACD/IUPAC Name]
Ethyl-2-[3-(methylsulfanyl)phenyl]ethyloxalat [German] [ACD/IUPAC Name]
Oxalate d'éthyle et de 2-[3-(méthylsulfanyl)phényl]éthyle [French] [ACD/IUPAC Name]
atoms 18 bonds 18
Ethyl 3-(methylthio)phenethyl oxalate
MFCD15145507
O2-Ethyl O1-[2-(3-methylthiophenyl)ethyl] oxalate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 375.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.3±3.0 kJ/mol
    Flash Point: 177.2±14.0 °C
    Index of Refraction: 1.542
    Molar Refractivity: 70.9±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.87
    ACD/LogD (pH 5.5): 2.98
    ACD/BCF (pH 5.5): 109.16
    ACD/KOC (pH 5.5): 1001.03
    ACD/LogD (pH 7.4): 2.98
    ACD/BCF (pH 7.4): 109.16
    ACD/KOC (pH 7.4): 1001.03
    Polar Surface Area: 78 Å2
    Polarizability: 28.1±0.5 10-24cm3
    Surface Tension: 45.8±5.0 dyne/cm
    Molar Volume: 225.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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