ChemSpider 2D Image | 4-Hydroxy-2,5-hexadiynal | C6H4O2

4-Hydroxy-2,5-hexadiynal

  • Molecular FormulaC6H4O2
  • Average mass108.095 Da
  • Monoisotopic mass108.021126 Da
  • ChemSpider ID60678306

More details:






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

2,5-Hexadiynal, 4-hydroxy- [ACD/Index Name]
4-Hydroxy-2,5-hexadiinal [German] [ACD/IUPAC Name]
4-Hydroxy-2,5-hexadiynal [ACD/IUPAC Name]
4-Hydroxy-2,5-hexadiynal [French] [ACD/IUPAC Name]
165055-59-4 [RN]
MFCD24682243

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

Density: 1.2±0.1 g/cm3
Boiling Point: 241.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.6±6.0 kJ/mol
Flash Point: 114.4±21.1 °C
Index of Refraction: 1.521
Molar Refractivity: 27.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.34
ACD/KOC (pH 5.5): 42.89
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.34
ACD/KOC (pH 7.4): 42.88
Polar Surface Area: 37 Å2
Polarizability: 10.8±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 89.8±3.0 cm3

Click to predict properties on the Chemicalize site






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