ChemSpider 2D Image | 3,6-Dihexyl-7-hydroxy-4-methyl-2H-chromen-2-one | C22H32O3

3,6-Dihexyl-7-hydroxy-4-methyl-2H-chromen-2-one

  • Molecular FormulaC22H32O3
  • Average mass344.488 Da
  • Monoisotopic mass344.235138 Da
  • ChemSpider ID21750048

More details:






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

2H-1-Benzopyran-2-one, 3,6-dihexyl-7-hydroxy-4-methyl- [ACD/Index Name]
3,6-Dihexyl-7-hydroxy-4-methyl-2H-chromen-2-on [German] [ACD/IUPAC Name]
3,6-Dihexyl-7-hydroxy-4-methyl-2H-chromen-2-one [ACD/IUPAC Name]
3,6-Dihexyl-7-hydroxy-4-méthyl-2H-chromén-2-one [French] [ACD/IUPAC Name]
3,6-dihexyl-7-hydroxy-4-methylchromen-2-one
3,6-Dihexyl-7-hydroxy-4-methyl-chromen-2-one

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

Density: 1.0±0.1 g/cm3
Boiling Point: 496.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 195.6±21.5 °C
Index of Refraction: 1.525
Molar Refractivity: 102.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.73
ACD/LogD (pH 5.5): 7.57
ACD/BCF (pH 5.5): 331526.91
ACD/KOC (pH 5.5): 311255.38
ACD/LogD (pH 7.4): 7.55
ACD/BCF (pH 7.4): 322552.72
ACD/KOC (pH 7.4): 302829.94
Polar Surface Area: 47 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 333.9±3.0 cm3

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