ChemSpider 2D Image | 4-Hydroxy-6-(3-methylbutyl)-2H-pyran-2-one | C10H14O3

4-Hydroxy-6-(3-methylbutyl)-2H-pyran-2-one

  • Molecular FormulaC10H14O3
  • Average mass182.216 Da
  • Monoisotopic mass182.094299 Da
  • ChemSpider ID28582662

More details:

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

2H-Pyran-2-one, 4-hydroxy-6-(3-methylbutyl)- [ACD/Index Name]
4-Hydroxy-6-(3-methylbutyl)-2H-pyran-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-6-(3-methylbutyl)-2H-pyran-2-one [ACD/IUPAC Name]
4-Hydroxy-6-(3-méthylbutyl)-2H-pyran-2-one [French] [ACD/IUPAC Name]
315193-05-6 [RN]
4-Hydroxy-6-isopentyl-2H-pyran-2-one
Fistupyrone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 288.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 61.2±6.0 kJ/mol
Flash Point: 120.0±20.1 °C
Index of Refraction: 1.518
Molar Refractivity: 48.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 2.50
ACD/KOC (pH 5.5): 48.55
ACD/LogD (pH 7.4): -0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 161.0±3.0 cm3

Click to predict properties on the Chemicalize site


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