ChemSpider 2D Image | Ethyl 3-(methylsulfonyl)propanoate | C6H12O4S

Ethyl 3-(methylsulfonyl)propanoate

  • Molecular FormulaC6H12O4S
  • Average mass180.222 Da
  • Monoisotopic mass180.045624 Da
  • ChemSpider ID27262691

More details:

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

118675-14-2 [RN]
3-(Méthylsulfonyl)propanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-(methylsulfonyl)propanoate [ACD/IUPAC Name]
Ethyl-3-(methylsulfonyl)propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-(methylsulfonyl)-, ethyl ester [ACD/Index Name]
ETHYL 3-METHANESULFONYLPROPANOATE
ethyl 3-methylsulfonylpropanoate
MFCD12776525 [MDL number]
propanoic acid, 3-(methylsulfonyl), ethyl ester

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 327.6±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.0±3.0 kJ/mol
    Flash Point: 151.9±23.2 °C
    Index of Refraction: 1.445
    Molar Refractivity: 40.5±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: -0.16
    ACD/LogD (pH 5.5): -0.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 19.57
    ACD/LogD (pH 7.4): -0.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 19.57
    Polar Surface Area: 69 Å2
    Polarizability: 16.1±0.5 10-24cm3
    Surface Tension: 38.5±3.0 dyne/cm
    Molar Volume: 152.1±3.0 cm3

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