ChemSpider 2D Image | 4-(2-Methoxy-6-{(E)-[(4-methylphenyl)imino]methyl}phenoxy)phthalonitrile | C23H17N3O2

4-(2-Methoxy-6-{(E)-[(4-methylphenyl)imino]methyl}phenoxy)phthalonitrile

  • Molecular FormulaC23H17N3O2
  • Average mass367.400 Da
  • Monoisotopic mass367.132080 Da
  • ChemSpider ID24742258

  • Double-bond stereo - Double-bond stereo

More details:

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

1,2-Benzenedicarbonitrile, 4-[2-methoxy-6-[(E)-[(4-methylphenyl)imino]methyl]phenoxy]- [ACD/Index Name]
4-(2-Méthoxy-6-{(E)-[(4-méthylphényl)imino]méthyl}phénoxy)phtalonitrile [French] [ACD/IUPAC Name]
4-(2-Methoxy-6-{(E)-[(4-methylphenyl)imino]methyl}phenoxy)phthalonitril [German] [ACD/IUPAC Name]
4-(2-Methoxy-6-{(E)-[(4-methylphenyl)imino]methyl}phenoxy)phthalonitrile [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 570.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 298.9±30.1 °C
Index of Refraction: 1.590
Molar Refractivity: 110.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 826.94
ACD/KOC (pH 5.5): 4258.65
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 831.30
ACD/KOC (pH 7.4): 4281.10
Polar Surface Area: 78 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 42.8±7.0 dyne/cm
Molar Volume: 326.7±7.0 cm3

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