ChemSpider 2D Image | 6-sec-Butyl-3-ethyl-4-hydroxy-2H-pyran-2-one | C11H16O3

6-sec-Butyl-3-ethyl-4-hydroxy-2H-pyran-2-one

  • Molecular FormulaC11H16O3
  • Average mass196.243 Da
  • Monoisotopic mass196.109940 Da
  • ChemSpider ID13653514

More details:

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

2H-Pyran-2-one, 3-ethyl-4-hydroxy-6-(1-methylpropyl)- [ACD/Index Name]
6-sec-Butyl-3-ethyl-4-hydroxy-2H-pyran-2-on [German] [ACD/IUPAC Name]
6-sec-Butyl-3-ethyl-4-hydroxy-2H-pyran-2-one [ACD/IUPAC Name]
6-sec-Butyl-3-éthyl-4-hydroxy-2H-pyran-2-one [French] [ACD/IUPAC Name]
150973-78-7 [RN]
151271-57-7 [RN]
223437-12-5 [RN]
2H-Pyran-2-one,3-ethyl-4-hydroxy-6-(1-methylpropyl)- (9CI)
Germicidin
Germicidin B

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

Density: 1.1±0.0 g/cm3
Boiling Point: 299.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 62.6±0.0 kJ/mol
Flash Point: 122.6±0.0 °C
Index of Refraction: 1.512
Molar Refractivity: 53.4±0.0 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 29.92
ACD/KOC (pH 5.5): 319.01
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.64
Polar Surface Area: 47 Å2
Polarizability: 21.2±0.0 10-24cm3
Surface Tension: 39.5±0.0 dyne/cm
Molar Volume: 177.7±0.0 cm3

Click to predict properties on the Chemicalize site


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