ChemSpider 2D Image | 4-(2-{(E)-[(4-Chlorophenyl)imino]methyl}phenoxy)phthalonitrile | C21H12ClN3O

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

  • Molecular FormulaC21H12ClN3O
  • Average mass357.793 Da
  • Monoisotopic mass357.066895 Da
  • ChemSpider ID24742089

  • Double-bond stereo - Double-bond stereo

More details:

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

1,2-Benzenedicarbonitrile, 4-[2-[(E)-[(4-chlorophenyl)imino]methyl]phenoxy]- [ACD/Index Name]
4-(2-{(E)-[(4-Chlorophényl)imino]méthyl}phénoxy)phtalonitrile [French] [ACD/IUPAC Name]
4-(2-{(E)-[(4-Chlorophenyl)imino]methyl}phenoxy)phthalonitrile [ACD/IUPAC Name]
4-(2-{(E)-[(4-Chlorphenyl)imino]methyl}phenoxy)phthalonitril [German] [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: 554.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 289.4±30.1 °C
Index of Refraction: 1.616
Molar Refractivity: 104.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2021.06
ACD/KOC (pH 5.5): 8084.01
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2022.73
ACD/KOC (pH 7.4): 8090.71
Polar Surface Area: 69 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 299.1±7.0 cm3

Click to predict properties on the Chemicalize site


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