ChemSpider 2D Image | (1S)-2,2-Dimethylcyclopropanecarbonitrile | C6H9N

(1S)-2,2-Dimethylcyclopropanecarbonitrile

  • Molecular FormulaC6H9N
  • Average mass95.142 Da
  • Monoisotopic mass95.073502 Da
  • ChemSpider ID32787088
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(1S)-2,2-Dimethylcyclopropancarbonitril [German] [ACD/IUPAC Name]
(1S)-2,2-Dimethylcyclopropanecarbonitrile [ACD/IUPAC Name]
(1S)-2,2-Diméthylcyclopropanecarbonitrile [French] [ACD/IUPAC Name]
Cyclopropanecarbonitrile, 2,2-dimethyl-, (1S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 140.9±9.0 °C at 760 mmHg
Vapour Pressure: 6.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.8±3.0 kJ/mol
Flash Point: 35.7±6.5 °C
Index of Refraction: 1.447
Molar Refractivity: 27.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 5.21
ACD/KOC (pH 5.5): 113.41
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.21
ACD/KOC (pH 7.4): 113.41
Polar Surface Area: 24 Å2
Polarizability: 11.0±0.5 10-24cm3
Surface Tension: 30.8±5.0 dyne/cm
Molar Volume: 103.7±5.0 cm3

Click to predict properties on the Chemicalize site






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