ChemSpider 2D Image | (Methylsulfonyl)(4-~2~H)benzene | C7H7DO2S

(Methylsulfonyl)(4-2H)benzene

  • Molecular FormulaC7H7DO2S
  • Average mass157.208 Da
  • Monoisotopic mass157.030777 Da
  • ChemSpider ID77006175

  • Non-standard isotope - Non-standard isotope

More details:

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

(Methylsulfonyl)(4-2H)benzene [ACD/IUPAC Name]
(Méthylsulfonyl)(4-2H)benzène [French] [ACD/IUPAC Name]
(Methylsulfonyl)(4-2H)benzol [German] [ACD/IUPAC Name]
Benzene-d, 4-(methylsulfonyl)- [ACD/Index Name]
1-(methylsulfonyl)benzene-4-d
2122800-11-5 [RN]
MFCD31699939

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 302.6±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.1±3.0 kJ/mol
    Flash Point: 171.4±13.1 °C
    Index of Refraction: 1.525
    Molar Refractivity: 40.2±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.50
    ACD/LogD (pH 5.5): 0.69
    ACD/BCF (pH 5.5): 1.95
    ACD/KOC (pH 5.5): 56.17
    ACD/LogD (pH 7.4): 0.69
    ACD/BCF (pH 7.4): 1.95
    ACD/KOC (pH 7.4): 56.17
    Polar Surface Area: 43 Å2
    Polarizability: 15.9±0.5 10-24cm3
    Surface Tension: 36.9±3.0 dyne/cm
    Molar Volume: 131.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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