ChemSpider 2D Image | 2-[(4-Ethynylphenyl)ethynyl]-1,4-benzoquinone | C16H8O2

2-[(4-Ethynylphenyl)ethynyl]-1,4-benzoquinone

  • Molecular FormulaC16H8O2
  • Average mass232.234 Da
  • Monoisotopic mass232.052429 Da
  • ChemSpider ID96540819

More details:

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

2,5-Cyclohexadiene-1,4-dione, 2-[2-(4-ethynylphenyl)ethynyl]- [ACD/Index Name]
2-[(4-Ethinylphenyl)ethinyl]-1,4-benzochinon [German] [ACD/IUPAC Name]
2-[(4-Ethynylphenyl)ethynyl]-1,4-benzoquinone [ACD/IUPAC Name]
2-[(4-Éthynylphényl)éthynyl]-1,4-benzoquinone [French] [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: 366.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.3±3.0 kJ/mol
Flash Point: 137.6±24.9 °C
Index of Refraction: 1.646
Molar Refractivity: 66.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 151.83
ACD/KOC (pH 5.5): 1267.73
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 151.83
ACD/KOC (pH 7.4): 1267.73
Polar Surface Area: 34 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 183.7±5.0 cm3

Click to predict properties on the Chemicalize site


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