ChemSpider 2D Image | 4-(Ethylsulfonyl)-2,2-dimethyl-3-pentanol | C9H20O3S

4-(Ethylsulfonyl)-2,2-dimethyl-3-pentanol

  • Molecular FormulaC9H20O3S
  • Average mass208.318 Da
  • Monoisotopic mass208.113312 Da
  • ChemSpider ID35495481

More details:

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

3-Pentanol, 4-(ethylsulfonyl)-2,2-dimethyl- [ACD/Index Name]
4-(Ethylsulfonyl)-2,2-dimethyl-3-pentanol [German] [ACD/IUPAC Name]
4-(Ethylsulfonyl)-2,2-dimethyl-3-pentanol [ACD/IUPAC Name]
4-(Éthylsulfonyl)-2,2-diméthyl-3-pentanol [French] [ACD/IUPAC Name]
1707599-78-7 [RN]
4-Ethanesulfonyl-2,2-dimethyl-pentan-3-ol
4-ethylsulfonyl-2,2-dimethylpentan-3-ol
MFCD26527833

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 343.8±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 68.1±6.0 kJ/mol
    Flash Point: 161.7±23.2 °C
    Index of Refraction: 1.462
    Molar Refractivity: 54.0±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.87
    ACD/LogD (pH 5.5): 1.08
    ACD/BCF (pH 5.5): 3.91
    ACD/KOC (pH 5.5): 92.31
    ACD/LogD (pH 7.4): 1.08
    ACD/BCF (pH 7.4): 3.91
    ACD/KOC (pH 7.4): 92.31
    Polar Surface Area: 63 Å2
    Polarizability: 21.4±0.5 10-24cm3
    Surface Tension: 35.7±3.0 dyne/cm
    Molar Volume: 196.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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