ChemSpider 2D Image | 3-[(3,5-Diethynylphenyl)ethynyl]-5-methoxybenzonitrile | C20H11NO

3-[(3,5-Diethynylphenyl)ethynyl]-5-methoxybenzonitrile

  • Molecular FormulaC20H11NO
  • Average mass281.307 Da
  • Monoisotopic mass281.084076 Da
  • ChemSpider ID87571976

More details:

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

3-[(3,5-Diethinylphenyl)ethinyl]-5-methoxybenzonitril [German] [ACD/IUPAC Name]
3-[(3,5-Diethynylphenyl)ethynyl]-5-methoxybenzonitrile [ACD/IUPAC Name]
3-[(3,5-Diéthynylphényl)éthynyl]-5-méthoxybenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-[2-(3,5-diethynylphenyl)ethynyl]-5-methoxy- [ACD/Index 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: 487.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 202.3±22.6 °C
Index of Refraction: 1.641
Molar Refractivity: 83.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 937.73
ACD/KOC (pH 5.5): 4666.73
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 937.73
ACD/KOC (pH 7.4): 4666.73
Polar Surface Area: 33 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 232.3±5.0 cm3

Click to predict properties on the Chemicalize site


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