ChemSpider 2D Image | [(2,2-Dihydroxyvinyl)sulfonyl]acetonitrile | C4H5NO4S

[(2,2-Dihydroxyvinyl)sulfonyl]acetonitrile

  • Molecular FormulaC4H5NO4S
  • Average mass163.152 Da
  • Monoisotopic mass162.993927 Da
  • ChemSpider ID95727197

More details:

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

[(2,2-Dihydroxyvinyl)sulfonyl]acetonitril [German] [ACD/IUPAC Name]
[(2,2-Dihydroxyvinyl)sulfonyl]acetonitrile [ACD/IUPAC Name]
[(2,2-Dihydroxyvinyl)sulfonyl]acétonitrile [French] [ACD/IUPAC Name]
Acetonitrile, 2-[(2,2-dihydroxyethenyl)sulfonyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 477.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.5±6.0 kJ/mol
Flash Point: 242.8±28.7 °C
Index of Refraction: 1.573
Molar Refractivity: 32.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.67
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.79
ACD/LogD (pH 7.4): -2.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 12.7±0.5 10-24cm3
Surface Tension: 89.5±3.0 dyne/cm
Molar Volume: 97.4±3.0 cm3

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