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Search term: OBYCDHGTAMFJOW (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-Methyl-2,3-butadienenitrile | C5H5N

2-Methyl-2,3-butadienenitrile

  • Molecular FormulaC5H5N
  • Average mass79.100 Da
  • Monoisotopic mass79.042198 Da
  • ChemSpider ID62971281

More details:






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

2,3-Butadienenitrile, 2-methyl- [ACD/Index Name]
2-Methyl-2,3-butadienenitrile [ACD/IUPAC Name]
2-Méthyl-2,3-butadiènenitrile [French] [ACD/IUPAC Name]
2-Methyl-2,3-butadiennitril [German] [ACD/IUPAC Name]
39759-91-6 [RN]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 144.5±7.0 °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: 40.4±10.7 °C
Index of Refraction: 1.418
Molar Refractivity: 24.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.12
ACD/KOC (pH 5.5): 127.30
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.12
ACD/KOC (pH 7.4): 127.30
Polar Surface Area: 24 Å2
Polarizability: 9.8±0.5 10-24cm3
Surface Tension: 12.2±3.0 dyne/cm
Molar Volume: 98.0±3.0 cm3

Click to predict properties on the Chemicalize site






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