ChemSpider 2D Image | 2-Ethyl-4-oxo-4H-pyran-3-yl isobutyrate | C11H14O4

2-Ethyl-4-oxo-4H-pyran-3-yl isobutyrate

  • Molecular FormulaC11H14O4
  • Average mass210.227 Da
  • Monoisotopic mass210.089203 Da
  • ChemSpider ID28185202

More details:






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

2-Ethyl-4-oxo-4H-pyran-3-yl 2-methylpropanoate
2-Ethyl-4-oxo-4H-pyran-3-yl 2-methylpropionate [ACD/IUPAC Name]
2-Ethyl-4-oxo-4H-pyran-3-yl isobutyrate [ACD/IUPAC Name]
2-Ethyl-4-oxo-4H-pyran-3-yl-2-methylpropanoat [German] [ACD/IUPAC Name]
2-Méthylpropanoate de 2-éthyl-4-oxo-4H-pyran-3-yle [French] [ACD/IUPAC Name]
852997-28-5 [RN]
Propanoic acid, 2-methyl-, 2-ethyl-4-oxo-4H-pyran-3-yl ester [ACD/Index Name]
T6O DVJ B2 COVY1&1 [WLN]
ETHYL MALTOL ISOBUTYRATE
FEMA 4534

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

15669DI8SM [DBID]
UNII:15669DI8SM [DBID]
UNII-15669DI8SM [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 336.1±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.9±3.0 kJ/mol
Flash Point: 148.5±24.9 °C
Index of Refraction: 1.494
Molar Refractivity: 54.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.27
ACD/KOC (pH 5.5): 171.32
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.27
ACD/KOC (pH 7.4): 171.32
Polar Surface Area: 53 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 37.2±5.0 dyne/cm
Molar Volume: 185.4±5.0 cm3

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