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Search term: AQBMTZDBICUTRN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-Ethynyl-1,4-naphthoquinone | C12H6O2

5-Ethynyl-1,4-naphthoquinone

  • Molecular FormulaC12H6O2
  • Average mass182.175 Da
  • Monoisotopic mass182.036774 Da
  • ChemSpider ID32987764

More details:

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

1,4-Naphthalenedione, 5-ethynyl- [ACD/Index Name]
5-Ethinyl-1,4-naphthochinon [German] [ACD/IUPAC Name]
5-Ethynyl-1,4-naphthoquinone [ACD/IUPAC Name]
5-Éthynyl-1,4-naphtoquinone [French] [ACD/IUPAC Name]
110574-56-6 [RN]
MFCD18448121

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

Density: 1.3±0.1 g/cm3
Boiling Point: 370.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.7±3.0 kJ/mol
Flash Point: 138.9±24.9 °C
Index of Refraction: 1.631
Molar Refractivity: 50.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.93
ACD/KOC (pH 5.5): 274.78
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.93
ACD/KOC (pH 7.4): 274.78
Polar Surface Area: 34 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 141.5±5.0 cm3

Click to predict properties on the Chemicalize site


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