ChemSpider 2D Image | 4-[2-(1,4-Cyclohexadien-1-yl)ethoxy]phthalonitrile | C16H14N2O

4-[2-(1,4-Cyclohexadien-1-yl)ethoxy]phthalonitrile

  • Molecular FormulaC16H14N2O
  • Average mass250.295 Da
  • Monoisotopic mass250.110611 Da
  • ChemSpider ID30657112

More details:

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

1,2-Benzenedicarbonitrile, 4-[2-(1,4-cyclohexadien-1-yl)ethoxy]- [ACD/Index Name]
4-[2-(1,4-Cyclohexadién-1-yl)éthoxy]phtalonitrile [French] [ACD/IUPAC Name]
4-[2-(1,4-Cyclohexadien-1-yl)ethoxy]phthalonitril [German] [ACD/IUPAC Name]
4-[2-(1,4-Cyclohexadien-1-yl)ethoxy]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: 455.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 183.7±21.6 °C
Index of Refraction: 1.588
Molar Refractivity: 72.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 230.46
ACD/KOC (pH 5.5): 1709.02
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 230.46
ACD/KOC (pH 7.4): 1709.02
Polar Surface Area: 57 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 214.7±5.0 cm3

Click to predict properties on the Chemicalize site


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