ChemSpider 2D Image | Methyl 5-formyl-2,6-dimethyl-4-phenyl-4H-pyran-3-carboxylate | C16H16O4

Methyl 5-formyl-2,6-dimethyl-4-phenyl-4H-pyran-3-carboxylate

  • Molecular FormulaC16H16O4
  • Average mass272.296 Da
  • Monoisotopic mass272.104858 Da
  • ChemSpider ID29435220

More details:

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

4H-Pyran-3-carboxylic acid, 5-formyl-2,6-dimethyl-4-phenyl-, methyl ester [ACD/Index Name]
5-Formyl-2,6-diméthyl-4-phényl-4H-pyrane-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-formyl-2,6-dimethyl-4-phenyl-4H-pyran-3-carboxylate [ACD/IUPAC Name]
Methyl-5-formyl-2,6-dimethyl-4-phenyl-4H-pyran-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 403.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 178.2±28.8 °C
Index of Refraction: 1.586
Molar Refractivity: 75.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.82
ACD/KOC (pH 5.5): 603.42
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.82
ACD/KOC (pH 7.4): 603.42
Polar Surface Area: 53 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 224.4±3.0 cm3

Click to predict properties on the Chemicalize site


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