ChemSpider 2D Image | 3-Methyl-3-oxetanecarbonitrile | C5H7NO

3-Methyl-3-oxetanecarbonitrile

  • Molecular FormulaC5H7NO
  • Average mass97.115 Da
  • Monoisotopic mass97.052765 Da
  • ChemSpider ID28467413

More details:






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

3-Methyl-3-oxetancarbonitril [German] [ACD/IUPAC Name]
3-Methyl-3-oxetanecarbonitrile [ACD/IUPAC Name]
3-Méthyl-3-oxétanecarbonitrile [French] [ACD/IUPAC Name]
3-Oxetanecarbonitrile, 3-methyl- [ACD/Index Name]
170128-14-0 [RN]
3-methyloxetane-3-carbonitrile
MFCD09842437 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 179.6±33.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.6±3.0 kJ/mol
Flash Point: 70.9±19.3 °C
Index of Refraction: 1.447
Molar Refractivity: 24.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.52
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.10
ACD/KOC (pH 5.5): 37.27
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.10
ACD/KOC (pH 7.4): 37.27
Polar Surface Area: 33 Å2
Polarizability: 9.8±0.5 10-24cm3
Surface Tension: 35.4±5.0 dyne/cm
Molar Volume: 92.9±5.0 cm3

Click to predict properties on the Chemicalize site


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