ChemSpider 2D Image | 3,5-Dibutyl-4-hydroxy-6-pentyl-2H-pyran-2-one | C18H30O3

3,5-Dibutyl-4-hydroxy-6-pentyl-2H-pyran-2-one

  • Molecular FormulaC18H30O3
  • Average mass294.429 Da
  • Monoisotopic mass294.219482 Da
  • ChemSpider ID57509478

More details:

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

2H-Pyran-2-one, 3,5-dibutyl-4-hydroxy-6-pentyl- [ACD/Index Name]
3,5-Dibutyl-4-hydroxy-6-pentyl-2H-pyran-2-on [German] [ACD/IUPAC Name]
3,5-Dibutyl-4-hydroxy-6-pentyl-2H-pyran-2-one [ACD/IUPAC Name]
3,5-Dibutyl-4-hydroxy-6-pentyl-2H-pyran-2-one [French] [ACD/IUPAC Name]
3,5-DIBUTYL-4-HYDROXY-6-PENTYLPYRAN-2-ONE
65837-08-3 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 404.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.9±6.0 kJ/mol
Flash Point: 156.8±21.5 °C
Index of Refraction: 1.489
Molar Refractivity: 86.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 7921.47
ACD/KOC (pH 5.5): 20137.86
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 466.30
ACD/KOC (pH 7.4): 1185.42
Polar Surface Area: 47 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 297.8±3.0 cm3

Click to predict properties on the Chemicalize site


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