ChemSpider 2D Image | 3-(Methylsulfonyl)-3-oxetanecarbonitrile | C5H7NO3S

3-(Methylsulfonyl)-3-oxetanecarbonitrile

  • Molecular FormulaC5H7NO3S
  • Average mass161.179 Da
  • Monoisotopic mass161.014664 Da
  • ChemSpider ID38236857

More details:

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

1425506-93-9 [RN]
3-(Methylsulfonyl)-3-oxetancarbonitril [German] [ACD/IUPAC Name]
3-(Methylsulfonyl)-3-oxetanecarbonitrile [ACD/IUPAC Name]
3-(Méthylsulfonyl)-3-oxétanecarbonitrile [French] [ACD/IUPAC Name]
3-(METHYLSULFONYL)OXETANE-3-CARBONITRILE
3-Oxetanecarbonitrile, 3-(methylsulfonyl)- [ACD/Index Name]
3-methylsulfonyloxetane-3-carbonitrile
MFCD26406980

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

Density: 1.4±0.1 g/cm3
Boiling Point: 442.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 221.1±28.7 °C
Index of Refraction: 1.506
Molar Refractivity: 33.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.46
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.39
ACD/LogD (pH 7.4): -0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.39
Polar Surface Area: 76 Å2
Polarizability: 13.3±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 113.4±5.0 cm3

Click to predict properties on the Chemicalize site


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