ChemSpider 2D Image | 2-(Ethylsulfonyl)-1,3-butanediol | C6H14O4S

2-(Ethylsulfonyl)-1,3-butanediol

  • Molecular FormulaC6H14O4S
  • Average mass182.238 Da
  • Monoisotopic mass182.061279 Da
  • ChemSpider ID35495920

More details:

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

1,3-Butanediol, 2-(ethylsulfonyl)- [ACD/Index Name]
2-(Ethylsulfonyl)-1,3-butandiol [German] [ACD/IUPAC Name]
2-(Ethylsulfonyl)-1,3-butanediol [ACD/IUPAC Name]
2-(Éthylsulfonyl)-1,3-butanediol [French] [ACD/IUPAC Name]
1713649-31-0 [RN]
2-Ethanesulfonyl-butane-1,3-diol
2-ethylsulfonylbutane-1,3-diol
MFCD26528271

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 431.1±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.3±6.0 kJ/mol
    Flash Point: 214.5±25.9 °C
    Index of Refraction: 1.489
    Molar Refractivity: 41.7±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.67
    ACD/LogD (pH 5.5): -1.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.45
    ACD/LogD (pH 7.4): -1.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 6.45
    Polar Surface Area: 83 Å2
    Polarizability: 16.5±0.5 10-24cm3
    Surface Tension: 49.2±3.0 dyne/cm
    Molar Volume: 144.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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