ChemSpider 2D Image | 1,3-Butadiene-1,1,3-tricarbonitrile | C7H3N3

1,3-Butadiene-1,1,3-tricarbonitrile

  • Molecular FormulaC7H3N3
  • Average mass129.119 Da
  • Monoisotopic mass129.032700 Da
  • ChemSpider ID67170800

More details:

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

1,3-Butadien-1,1,3-tricarbonitril [German] [ACD/IUPAC Name]
1,3-Butadiene-1,1,3-tricarbonitrile [ACD/Index Name] [ACD/IUPAC Name]
1,3-Butadiène-1,1,3-tricarbonitrile [French] [ACD/IUPAC Name]
buta-1,3-diene-1,1,3-tricarbonitrile

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

Density: 1.1±0.1 g/cm3
Boiling Point: 264.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.2±3.0 kJ/mol
Flash Point: 123.8±18.5 °C
Index of Refraction: 1.511
Molar Refractivity: 33.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.71
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 36.44
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.07
ACD/KOC (pH 7.4): 36.44
Polar Surface Area: 71 Å2
Polarizability: 13.4±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 112.5±3.0 cm3

Click to predict properties on the Chemicalize site


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