ChemSpider 2D Image | 3,5-Octadiyne-2,7-dione | C8H6O2

3,5-Octadiyne-2,7-dione

  • Molecular FormulaC8H6O2
  • Average mass134.132 Da
  • Monoisotopic mass134.036774 Da
  • ChemSpider ID24192387

More details:

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

3,5-Octadiin-2,7-dion [German] [ACD/IUPAC Name]
3,5-Octadiyne-2,7-dione [ACD/Index Name] [ACD/IUPAC Name]
3,5-Octadiyne-2,7-dione [French] [ACD/IUPAC Name]
"OCTA-3,5-DIYNE-2,7-DIONE"
139565-87-0 [RN]
3,5-Octadiyne-2,7-dione (9CI)
Octa-3,5-diyne-2,7-dione

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

Density: 1.1±0.1 g/cm3
Boiling Point: 220.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.7±3.0 kJ/mol
Flash Point: 83.4±17.8 °C
Index of Refraction: 1.491
Molar Refractivity: 35.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.58
ACD/KOC (pH 5.5): 200.88
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.58
ACD/KOC (pH 7.4): 200.88
Polar Surface Area: 34 Å2
Polarizability: 13.9±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 121.4±3.0 cm3

Click to predict properties on the Chemicalize site


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