ChemSpider 2D Image | 4-[(3-Ethynylphenyl)ethynyl]-1-isoquinolinecarbonitrile | C20H10N2

4-[(3-Ethynylphenyl)ethynyl]-1-isoquinolinecarbonitrile

  • Molecular FormulaC20H10N2
  • Average mass278.307 Da
  • Monoisotopic mass278.084412 Da
  • ChemSpider ID85263468

More details:

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

1-Isoquinolinecarbonitrile, 4-[2-(3-ethynylphenyl)ethynyl]- [ACD/Index Name]
4-[(3-Ethinylphenyl)ethinyl]-1-isochinolincarbonitril [German] [ACD/IUPAC Name]
4-[(3-Éthynylphényl)éthynyl]-1-isoquinoléinecarbonitrile [French] [ACD/IUPAC Name]
4-[(3-Ethynylphenyl)ethynyl]-1-isoquinolinecarbonitrile [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 532.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 162.5±13.9 °C
Index of Refraction: 1.709
Molar Refractivity: 85.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 737.00
ACD/KOC (pH 5.5): 3927.67
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 737.00
ACD/KOC (pH 7.4): 3927.67
Polar Surface Area: 37 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 72.5±5.0 dyne/cm
Molar Volume: 219.6±5.0 cm3

Click to predict properties on the Chemicalize site


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