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Search term: C12H16O2S (Found by molecular formula)
ChemSpider 2D Image | Ethyl 4-(phenylsulfanyl)butanoate | C12H16O2S

Ethyl 4-(phenylsulfanyl)butanoate

  • Molecular FormulaC12H16O2S
  • Average mass224.319 Da
  • Monoisotopic mass224.087097 Da
  • ChemSpider ID21786559

More details:

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

29193-72-4 [RN]
4-(Phénylsulfanyl)butanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-(phenylthio)-, ethyl ester [ACD/Index Name]
Ethyl 4-(phenylsulfanyl)butanoate [ACD/IUPAC Name]
Ethyl-4-(phenylsulfanyl)butanoat [German] [ACD/IUPAC Name]
4-Phenylsulfanyl-butyric acid ethyl ester
ethyl 4-(phenylthio)butanoate
MFCD11556293

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 323.9±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.6±3.0 kJ/mol
    Flash Point: 147.4±11.2 °C
    Index of Refraction: 1.537
    Molar Refractivity: 64.4±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.53
    ACD/LogD (pH 5.5): 3.32
    ACD/BCF (pH 5.5): 197.93
    ACD/KOC (pH 5.5): 1532.65
    ACD/LogD (pH 7.4): 3.32
    ACD/BCF (pH 7.4): 197.93
    ACD/KOC (pH 7.4): 1532.65
    Polar Surface Area: 52 Å2
    Polarizability: 25.5±0.5 10-24cm3
    Surface Tension: 41.1±5.0 dyne/cm
    Molar Volume: 206.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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