ChemSpider 2D Image | 2,2-Dimethyl-4-(methylsulfonyl)-3-hexanol | C9H20O3S

2,2-Dimethyl-4-(methylsulfonyl)-3-hexanol

  • Molecular FormulaC9H20O3S
  • Average mass208.318 Da
  • Monoisotopic mass208.113312 Da
  • ChemSpider ID35495501

More details:

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

2,2-Dimethyl-4-(methylsulfonyl)-3-hexanol [German] [ACD/IUPAC Name]
2,2-Dimethyl-4-(methylsulfonyl)-3-hexanol [ACD/IUPAC Name]
2,2-Diméthyl-4-(méthylsulfonyl)-3-hexanol [French] [ACD/IUPAC Name]
3-Hexanol, 2,2-dimethyl-4-(methylsulfonyl)- [ACD/Index Name]
1708254-42-5 [RN]
2,2-dimethyl-4-methylsulfonylhexan-3-ol
4-Methanesulfonyl-2,2-dimethyl-hexan-3-ol
MFCD26527852

    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): 1.07
    ACD/BCF (pH 5.5): 3.80
    ACD/KOC (pH 5.5): 90.56
    ACD/LogD (pH 7.4): 1.07
    ACD/BCF (pH 7.4): 3.80
    ACD/KOC (pH 7.4): 90.56
    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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