ChemSpider 2D Image | 3-(3-Methylphenoxy)phthalonitrile | C15H10N2O

3-(3-Methylphenoxy)phthalonitrile

  • Molecular FormulaC15H10N2O
  • Average mass234.253 Da
  • Monoisotopic mass234.079315 Da
  • ChemSpider ID21119225

More details:

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

1,2-Benzenedicarbonitrile, 3-(3-methylphenoxy)- [ACD/Index Name]
3-(3-Méthylphénoxy)phtalonitrile [French] [ACD/IUPAC Name]
3-(3-Methylphenoxy)phthalonitril [German] [ACD/IUPAC Name]
3-(3-Methylphenoxy)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: 399.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 162.1±20.7 °C
Index of Refraction: 1.614
Molar Refractivity: 67.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 407.87
ACD/KOC (pH 5.5): 2571.68
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 407.87
ACD/KOC (pH 7.4): 2571.68
Polar Surface Area: 57 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 192.1±5.0 cm3

Click to predict properties on the Chemicalize site


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