ChemSpider 2D Image | 4-Oxo-2-pentenenitrile | C5H5NO

4-Oxo-2-pentenenitrile

  • Molecular FormulaC5H5NO
  • Average mass95.099 Da
  • Monoisotopic mass95.037117 Da
  • ChemSpider ID57567781

More details:

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

2-pentenenitrile, 4-oxo- [ACD/Index Name]
4-Oxo-2-pentenenitrile [ACD/IUPAC Name]
4-Oxo-2-pentènenitrile [French] [ACD/IUPAC Name]
4-Oxo-2-pentennitril [German] [ACD/IUPAC Name]
4-Oxopent-2-enenitrile
86556-85-6 [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: 205.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.2±3.0 kJ/mol
Flash Point: 78.1±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: -0.34
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.22
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.22
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


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