ChemSpider 2D Image | [(~2~H_1_)Methylsulfonyl](2-~2~H)benzene | C7H6D2O2S

[(2H1)Methylsulfonyl](2-2H)benzene

  • Molecular FormulaC7H6D2O2S
  • Average mass158.214 Da
  • Monoisotopic mass158.037048 Da
  • ChemSpider ID74123390

  • Non-standard isotope - Non-standard isotope

More details:

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

[(2H1)Methylsulfonyl](2-2H)benzene [ACD/IUPAC Name]
[(2H1)Méthylsulfonyl](2-2H)benzène [French] [ACD/IUPAC Name]
[(2H1)Methylsulfonyl](2-2H)benzol [German] [ACD/IUPAC Name]
Benzene-d, 2-(methyl-d-sulfonyl)- [ACD/Index Name]

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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