ChemSpider 2D Image | 4-Hydroxy-3-methyl-6-(3-methylpentyl)-2H-pyran-2-one | C12H18O3

4-Hydroxy-3-methyl-6-(3-methylpentyl)-2H-pyran-2-one

  • Molecular FormulaC12H18O3
  • Average mass210.270 Da
  • Monoisotopic mass210.125595 Da
  • ChemSpider ID44210900

More details:

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

2H-Pyran-2-one, 4-hydroxy-3-methyl-6-(3-methylpentyl)- [ACD/Index Name]
4-Hydroxy-3-methyl-6-(3-methylpentyl)-2H-pyran-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-3-methyl-6-(3-methylpentyl)-2H-pyran-2-one [ACD/IUPAC Name]
4-Hydroxy-3-méthyl-6-(3-méthylpentyl)-2H-pyran-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: 315.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.5±6.0 kJ/mol
Flash Point: 127.9±20.7 °C
Index of Refraction: 1.506
Molar Refractivity: 58.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 35.65
ACD/KOC (pH 5.5): 368.58
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.36
Polar Surface Area: 47 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 195.5±3.0 cm3

Click to predict properties on the Chemicalize site


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