ChemSpider 2D Image | 4-METHOXY-6-PENTYL-PYRAN-2-ONE | C11H16O3

4-METHOXY-6-PENTYL-PYRAN-2-ONE

  • Molecular FormulaC11H16O3
  • Average mass196.243 Da
  • Monoisotopic mass196.109940 Da
  • ChemSpider ID24765195

More details:

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

109746-09-0 [RN]
2H-Pyran-2-one, 4-methoxy-6-pentyl- [ACD/Index Name]
4-Methoxy-6-pentyl-2H-pyran-2-on [German] [ACD/IUPAC Name]
4-Methoxy-6-pentyl-2H-pyran-2-one [ACD/IUPAC Name]
4-Méthoxy-6-pentyl-2H-pyran-2-one [French] [ACD/IUPAC Name]
4-METHOXY-6-PENTYL-PYRAN-2-ONE
[109746-09-0] [RN]
4-methoxy-6-pentylpyran-2-one
MFCD11520434 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 330.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.3±3.0 kJ/mol
Flash Point: 136.4±20.5 °C
Index of Refraction: 1.486
Molar Refractivity: 53.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 82.12
ACD/KOC (pH 5.5): 816.56
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 82.12
ACD/KOC (pH 7.4): 816.56
Polar Surface Area: 36 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 34.4±5.0 dyne/cm
Molar Volume: 187.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement