ChemSpider 2D Image | 3-(4-Methylphenoxy)phthalonitrile | C15H10N2O

3-(4-Methylphenoxy)phthalonitrile

  • Molecular FormulaC15H10N2O
  • Average mass234.253 Da
  • Monoisotopic mass234.079315 Da
  • ChemSpider ID21112496

More details:

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

1,2-Benzenedicarbonitrile, 3-(4-methylphenoxy)- [ACD/Index Name]
116965-13-0 [RN]
3-(4-Mehtylphenoxy)-1,2-benzenedicabonitile
3-(4-METHYLPHENOXY)-1,2-BENZENEDICARBONITRILE
3-(4-methylphenoxy)benzene-1,2-dicarbonitrile
3-(4-Méthylphénoxy)phtalonitrile [French] [ACD/IUPAC Name]
3-(4-Methylphenoxy)phthalonitril [German] [ACD/IUPAC Name]
3-(4-Methylphenoxy)phthalonitrile [ACD/IUPAC Name]
[116965-13-0] [RN]
185946-05-8 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 398.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.9±3.0 kJ/mol
    Flash Point: 162.0±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

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