ChemSpider 2D Image | (2S)-2-Chlorobutanenitrile | C4H6ClN

(2S)-2-Chlorobutanenitrile

  • Molecular FormulaC4H6ClN
  • Average mass103.550 Da
  • Monoisotopic mass103.018875 Da
  • ChemSpider ID67965737

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Chlorbutannitril [German] [ACD/IUPAC Name]
(2S)-2-Chlorobutanenitrile [ACD/IUPAC Name]
(2S)-2-Chlorobutanenitrile [French] [ACD/IUPAC Name]
Butanenitrile, 2-chloro-, (2S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 144.5±13.0 °C at 760 mmHg
Vapour Pressure: 5.1±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.2±3.0 kJ/mol
Flash Point: 40.2±11.8 °C
Index of Refraction: 1.421
Molar Refractivity: 25.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.28
ACD/KOC (pH 5.5): 98.51
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.28
ACD/KOC (pH 7.4): 98.51
Polar Surface Area: 24 Å2
Polarizability: 10.0±0.5 10-24cm3
Surface Tension: 31.1±3.0 dyne/cm
Molar Volume: 99.7±3.0 cm3

Click to predict properties on the Chemicalize site


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