ChemSpider 2D Image | 4-(4-{(E)-[(2-Hydroxyphenyl)imino]methyl}phenoxy)phthalonitrile | C21H13N3O2

4-(4-{(E)-[(2-Hydroxyphenyl)imino]methyl}phenoxy)phthalonitrile

  • Molecular FormulaC21H13N3O2
  • Average mass339.347 Da
  • Monoisotopic mass339.100769 Da
  • ChemSpider ID30657556

  • Double-bond stereo - Double-bond stereo

More details:

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

1,2-Benzenedicarbonitrile, 4-[4-[(E)-[(2-hydroxyphenyl)imino]methyl]phenoxy]- [ACD/Index Name]
4-(4-{(E)-[(2-Hydroxyphényl)imino]méthyl}phénoxy)phtalonitrile [French] [ACD/IUPAC Name]
4-(4-{(E)-[(2-Hydroxyphenyl)imino]methyl}phenoxy)phthalonitril [German] [ACD/IUPAC Name]
4-(4-{(E)-[(2-Hydroxyphenyl)imino]methyl}phenoxy)phthalonitrile [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: 589.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 310.0±30.1 °C
Index of Refraction: 1.620
Molar Refractivity: 100.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 382.20
ACD/KOC (pH 5.5): 2453.49
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 373.71
ACD/KOC (pH 7.4): 2398.99
Polar Surface Area: 89 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 287.1±7.0 cm3

Click to predict properties on the Chemicalize site


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