ChemSpider 2D Image | 4-Hydroxy-3-{1-[4-(2-methyl-2-propanyl)phenyl]dodecyl}-2H-chromen-2-one | C31H42O3

4-Hydroxy-3-{1-[4-(2-methyl-2-propanyl)phenyl]dodecyl}-2H-chromen-2-one

  • Molecular FormulaC31H42O3
  • Average mass462.663 Da
  • Monoisotopic mass462.313385 Da
  • ChemSpider ID76763664

More details:

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

2H-1-Benzopyran-2-one, 3-[1-[4-(1,1-dimethylethyl)phenyl]dodecyl]-4-hydroxy- [ACD/Index Name]
4-Hydroxy-3-{1-[4-(2-methyl-2-propanyl)phenyl]dodecyl}-2H-chromen-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-3-{1-[4-(2-methyl-2-propanyl)phenyl]dodecyl}-2H-chromen-2-one [ACD/IUPAC Name]
4-Hydroxy-3-{1-[4-(2-méthyl-2-propanyl)phényl]dodécyl}-2H-chromén-2-one [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 592.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 222.4±22.9 °C
Index of Refraction: 1.553
Molar Refractivity: 139.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 11.24
ACD/LogD (pH 5.5): 9.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1086718.50
ACD/LogD (pH 7.4): 7.67
ACD/BCF (pH 7.4): 84880.55
ACD/KOC (pH 7.4): 18746.27
Polar Surface Area: 47 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 437.4±3.0 cm3

Click to predict properties on the Chemicalize site


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