ChemSpider 2D Image | 2-(Ethylsulfanyl)propanenitrile | C5H9NS

2-(Ethylsulfanyl)propanenitrile

  • Molecular FormulaC5H9NS
  • Average mass115.197 Da
  • Monoisotopic mass115.045570 Da
  • ChemSpider ID14499732

More details:

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

2-(Ethylsulfanyl)propanenitrile [ACD/IUPAC Name]
2-(Éthylsulfanyl)propanenitrile [French] [ACD/IUPAC Name]
2-(Ethylsulfanyl)propannitril [German] [ACD/IUPAC Name]
Propanenitrile, 2-(ethylthio)- [ACD/Index Name]
36705-63-2 [RN]
MFCD16040436

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

Density: 1.0±0.1 g/cm3
Boiling Point: 181.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.7±3.0 kJ/mol
Flash Point: 63.4±22.6 °C
Index of Refraction: 1.469
Molar Refractivity: 33.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.08
ACD/KOC (pH 5.5): 111.36
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.08
ACD/KOC (pH 7.4): 111.36
Polar Surface Area: 49 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 118.8±3.0 cm3

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