ChemSpider 2D Image | 2,2'-[1,3-Phenylenebis(methylene)]bis(methylmalononitrile) | C16H14N4

2,2'-[1,3-Phenylenebis(methylene)]bis(methylmalononitrile)

  • Molecular FormulaC16H14N4
  • Average mass262.309 Da
  • Monoisotopic mass262.121857 Da
  • ChemSpider ID24742657

More details:

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

1,3-Benzenedipropanenitrile, α,α'-dicyano-α,α'-dimethyl- [ACD/Index Name]
2,2'-(1,3-Phenylendimethylen)bis(methylmalononitril) [German] [ACD/IUPAC Name]
2,2'-(1,3-Phénylènediméthylène)bis(méthylmalononitrile) [French] [ACD/IUPAC Name]
2,2'-[1,3-Phenylenebis(methylene)]bis(methylmalononitrile) [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 530.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 262.0±22.6 °C
Index of Refraction: 1.552
Molar Refractivity: 72.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.44
ACD/KOC (pH 5.5): 624.27
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.44
ACD/KOC (pH 7.4): 624.27
Polar Surface Area: 95 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 227.7±3.0 cm3

Click to predict properties on the Chemicalize site


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