ChemSpider 2D Image | (3S)-3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione | C8H8O4

(3S)-3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione

  • Molecular FormulaC8H8O4
  • Average mass168.147 Da
  • Monoisotopic mass168.042252 Da
  • ChemSpider ID32789863

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dion [German] [ACD/IUPAC Name]
(3S)-3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione [ACD/IUPAC Name]
(3S)-3-Acétyl-6-méthyl-2H-pyrane-2,4(3H)-dione [French] [ACD/IUPAC Name]
2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, (3S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 332.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.5±3.0 kJ/mol
Flash Point: 150.5±27.9 °C
Index of Refraction: 1.490
Molar Refractivity: 38.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.35
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.46
ACD/LogD (pH 7.4): -1.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 60 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 133.0±3.0 cm3

Click to predict properties on the Chemicalize site


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