ChemSpider 2D Image | 4,6-Diethynylisophthalaldehyde | C12H6O2

4,6-Diethynylisophthalaldehyde

  • Molecular FormulaC12H6O2
  • Average mass182.175 Da
  • Monoisotopic mass182.036774 Da
  • ChemSpider ID60822483

More details:






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

1,3-Benzenedicarboxaldehyde, 4,6-diethynyl- [ACD/Index Name]
4,6-Diethinylisophthalaldehyd [German] [ACD/IUPAC Name]
4,6-Diéthynylisophtalaldéhyde [French] [ACD/IUPAC Name]
4,6-Diethynylisophthalaldehyde [ACD/IUPAC Name]
1824583-51-8 [RN]
MFCD24687027

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

Density: 1.2±0.1 g/cm3
Boiling Point: 355.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.1±3.0 kJ/mol
Flash Point: 133.5±24.9 °C
Index of Refraction: 1.585
Molar Refractivity: 50.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.81
ACD/KOC (pH 5.5): 239.66
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.81
ACD/KOC (pH 7.4): 239.66
Polar Surface Area: 34 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 151.7±5.0 cm3

Click to predict properties on the Chemicalize site






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