ChemSpider 2D Image | 3-Methyl-4-oxo-2-butenenitrile | C5H5NO

3-Methyl-4-oxo-2-butenenitrile

  • Molecular FormulaC5H5NO
  • Average mass95.099 Da
  • Monoisotopic mass95.037117 Da
  • ChemSpider ID57562876

More details:

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

2-Butenenitrile, 3-methyl-4-oxo- [ACD/Index Name]
3-Methyl-4-oxo-2-butenenitrile [ACD/IUPAC Name]
3-Méthyl-4-oxo-2-butènenitrile [French] [ACD/IUPAC Name]
3-Methyl-4-oxo-2-butennitril [German] [ACD/IUPAC Name]
3-Methyl-4-oxobut-2-enenitrile
78843-78-4 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 200.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.7±3.0 kJ/mol
Flash Point: 74.9±22.6 °C
Index of Refraction: 1.443
Molar Refractivity: 25.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.17
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.24
ACD/KOC (pH 5.5): 40.54
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.24
ACD/KOC (pH 7.4): 40.54
Polar Surface Area: 41 Å2
Polarizability: 10.0±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 95.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement