ChemSpider 2D Image | 4-[(4-Ethynylphenyl)ethynyl]aniline | C16H11N

4-[(4-Ethynylphenyl)ethynyl]aniline

  • Molecular FormulaC16H11N
  • Average mass217.265 Da
  • Monoisotopic mass217.089142 Da
  • ChemSpider ID28534925

More details:

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

183022-66-4 [RN]
4-[(4-Ethinylphenyl)ethinyl]anilin [German] [ACD/IUPAC Name]
4-[(4-Ethynylphenyl)ethynyl]aniline [ACD/IUPAC Name]
4-[(4-Éthynylphényl)éthynyl]aniline [French] [ACD/IUPAC Name]
4-[2-(4-Ethynylphenyl)ethynyl]benzenamine
Benzenamine, 4-[2-(4-ethynylphenyl)ethynyl]- [ACD/Index Name]
4-((4-Ethynylphenyl)ethynyl)aniline
4-((4-ethynylphenyl)ethynyl)benzenamine
4-[2-(4-ethynylphenyl)ethynyl]aniline
MFCD23135426 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 388.8±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 203.7±19.0 °C
Index of Refraction: 1.664
Molar Refractivity: 69.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 296.45
ACD/KOC (pH 5.5): 2038.98
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 300.29
ACD/KOC (pH 7.4): 2065.43
Polar Surface Area: 26 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 187.1±5.0 cm3

Click to predict properties on the Chemicalize site


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