ChemSpider 2D Image | 2-Ethynyl-1,4-naphthoquinone | C12H6O2

2-Ethynyl-1,4-naphthoquinone

  • Molecular FormulaC12H6O2
  • Average mass182.175 Da
  • Monoisotopic mass182.036774 Da
  • ChemSpider ID67167878

More details:






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

1,4-Naphthalenedione, 2-ethynyl- [ACD/Index Name]
2-Ethinyl-1,4-naphthochinon [German] [ACD/IUPAC Name]
2-Ethynyl-1,4-naphthoquinone [ACD/IUPAC Name]
2-Éthynyl-1,4-naphtoquinone [French] [ACD/IUPAC Name]
ethynylnaphthoquinone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 292.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.2±3.0 kJ/mol
Flash Point: 109.0±24.3 °C
Index of Refraction: 1.626
Molar Refractivity: 50.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.64
ACD/KOC (pH 5.5): 324.63
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.64
ACD/KOC (pH 7.4): 324.63
Polar Surface Area: 34 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 141.8±5.0 cm3

Click to predict properties on the Chemicalize site






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