ChemSpider 2D Image | 6-Isobutyl-2-oxo-2H-pyran-4-olate | C9H11O3

6-Isobutyl-2-oxo-2H-pyran-4-olate

  • Molecular FormulaC9H11O3
  • Average mass167.182 Da
  • Monoisotopic mass167.071365 Da
  • ChemSpider ID128920763

  • Charge - Charge

More details:

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

2H-Pyran-2-one, 4-hydroxy-6-(2-methylpropyl)-, ion(1-) [ACD/Index Name]
6-Isobutyl-2-oxo-2H-pyran-4-olat [German] [ACD/IUPAC Name]
6-Isobutyl-2-oxo-2H-pyran-4-olate [ACD/IUPAC Name]
6-Isobutyl-2-oxo-2H-pyran-4-olate [French] [ACD/IUPAC Name]
6-isobutyl-4-hydroxy-2-pyrone

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

Density:
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:
Molar Refractivity:
#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: 49 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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