ChemSpider 2D Image | 2-(Chloromethyl)-4-(methylsulfonyl)butanenitrile | C6H10ClNO2S

2-(Chloromethyl)-4-(methylsulfonyl)butanenitrile

  • Molecular FormulaC6H10ClNO2S
  • Average mass195.667 Da
  • Monoisotopic mass195.012070 Da
  • ChemSpider ID40312911

More details:

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

2-(Chlormethyl)-4-(methylsulfonyl)butannitril [German] [ACD/IUPAC Name]
2-(Chloromethyl)-4-(methylsulfonyl)butanenitrile [ACD/IUPAC Name]
2-(Chlorométhyl)-4-(méthylsulfonyl)butanenitrile [French] [ACD/IUPAC Name]
Butanenitrile, 2-(chloromethyl)-4-(methylsulfonyl)- [ACD/Index Name]
1482279-79-7 [RN]
MFCD18294572

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

Density: 1.3±0.1 g/cm3
Boiling Point: 424.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 210.5±25.9 °C
Index of Refraction: 1.476
Molar Refractivity: 43.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.57
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.65
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.65
Polar Surface Area: 66 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 153.8±3.0 cm3

Click to predict properties on the Chemicalize site


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