ChemSpider 2D Image | 2-(Ethylsulfonyl)-4,4-dimethyl-1,3-pentanediol | C9H20O4S

2-(Ethylsulfonyl)-4,4-dimethyl-1,3-pentanediol

  • Molecular FormulaC9H20O4S
  • Average mass224.318 Da
  • Monoisotopic mass224.108231 Da
  • ChemSpider ID35495921

More details:

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

1,3-Pentanediol, 2-(ethylsulfonyl)-4,4-dimethyl- [ACD/Index Name]
2-(Ethylsulfonyl)-4,4-dimethyl-1,3-pentandiol [German] [ACD/IUPAC Name]
2-(Ethylsulfonyl)-4,4-dimethyl-1,3-pentanediol [ACD/IUPAC Name]
2-(Éthylsulfonyl)-4,4-diméthyl-1,3-pentanediol [French] [ACD/IUPAC Name]
1708198-88-2 [RN]
2-Ethanesulfonyl-4,4-dimethyl-pentane-1,3-diol
2-ethylsulfonyl-4,4-dimethylpentane-1,3-diol
MFCD26528272

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 429.2±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.0±6.0 kJ/mol
    Flash Point: 213.4±25.9 °C
    Index of Refraction: 1.485
    Molar Refractivity: 55.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.56
    ACD/LogD (pH 5.5): 0.34
    ACD/BCF (pH 5.5): 1.06
    ACD/KOC (pH 5.5): 36.34
    ACD/LogD (pH 7.4): 0.34
    ACD/BCF (pH 7.4): 1.06
    ACD/KOC (pH 7.4): 36.34
    Polar Surface Area: 83 Å2
    Polarizability: 22.0±0.5 10-24cm3
    Surface Tension: 43.0±3.0 dyne/cm
    Molar Volume: 193.9±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement