ChemSpider 2D Image | 4-Hydroxy-6-isobutyl-2H-pyran-2-one | C9H12O3

4-Hydroxy-6-isobutyl-2H-pyran-2-one

  • Molecular FormulaC9H12O3
  • Average mass168.190 Da
  • Monoisotopic mass168.078644 Da
  • ChemSpider ID13699070

More details:

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

2H-Pyran-2-one, 4-hydroxy-6-(2-methylpropyl)- [ACD/Index Name]
4-Hydroxy-6-isobutyl-2H-pyran-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-6-isobutyl-2H-pyran-2-one [ACD/IUPAC Name]
4-Hydroxy-6-isobutyl-2H-pyran-2-one [French] [ACD/IUPAC Name]
4-hydroxy-6-isobutyl-2-pyrone
5594-96-7 [RN]
MFCD28156629

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

Density: 1.2±0.1 g/cm3
Boiling Point: 272.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 59.3±6.0 kJ/mol
Flash Point: 115.0±20.1 °C
Index of Refraction: 1.523
Molar Refractivity: 44.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.34
ACD/KOC (pH 5.5): 30.53
ACD/LogD (pH 7.4): -1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 144.5±3.0 cm3

Click to predict properties on the Chemicalize site


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