ChemSpider 2D Image | 4-Hydroxy-3-(16-methylheptadecyl)-2H-pyran-2-one | C23H40O3

4-Hydroxy-3-(16-methylheptadecyl)-2H-pyran-2-one

  • Molecular FormulaC23H40O3
  • Average mass364.562 Da
  • Monoisotopic mass364.297760 Da
  • ChemSpider ID30776938

More details:






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

2H-Pyran-2-one, 4-hydroxy-3-(16-methylheptadecyl)- [ACD/Index Name]
4-Hydroxy-3-(16-methylheptadecyl)-2H-pyran-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-3-(16-methylheptadecyl)-2H-pyran-2-one [ACD/IUPAC Name]
4-Hydroxy-3-(16-méthylheptadécyl)-2H-pyran-2-one [French] [ACD/IUPAC Name]
203300-23-6 [RN]
4-hydroxy-3-(16-methylheptadecyl)pyran-2-one

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 473.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.9±6.0 kJ/mol
Flash Point: 177.9±21.5 °C
Index of Refraction: 1.492
Molar Refractivity: 109.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 9.00
ACD/LogD (pH 5.5): 7.26
ACD/BCF (pH 5.5): 156672.59
ACD/KOC (pH 5.5): 141492.83
ACD/LogD (pH 7.4): 5.60
ACD/BCF (pH 7.4): 3442.30
ACD/KOC (pH 7.4): 3108.78
Polar Surface Area: 47 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 375.6±3.0 cm3

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