ChemSpider 2D Image | [(4-Methylphenyl)sulfonyl](methylsulfonyl)acetonitrile | C10H11NO4S2

[(4-Methylphenyl)sulfonyl](methylsulfonyl)acetonitrile

  • Molecular FormulaC10H11NO4S2
  • Average mass273.329 Da
  • Monoisotopic mass273.012939 Da
  • ChemSpider ID35769186

More details:

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

[(4-Methylphenyl)sulfonyl](methylsulfonyl)acetonitril [German] [ACD/IUPAC Name]
[(4-Methylphenyl)sulfonyl](methylsulfonyl)acetonitrile [ACD/IUPAC Name]
[(4-Méthylphényl)sulfonyl](méthylsulfonyl)acétonitrile [French] [ACD/IUPAC Name]
Acetonitrile, 2-[(4-methylphenyl)sulfonyl]-2-(methylsulfonyl)- [ACD/Index Name]
2-(Methylsulfonyl)-2-tosylacetonitrile
56075-43-5 [RN]
ACETONITRILE, [(4-METHYLPHENYL)SULFONYL](METHYLSULFONYL)-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 543.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.2±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 62.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.87
ACD/KOC (pH 5.5): 108.09
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.87
ACD/KOC (pH 7.4): 108.09
Polar Surface Area: 109 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 195.3±3.0 cm3

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