ChemSpider 2D Image | [5-(3-Methylbutoxy)-4-oxo-4H-pyran-2-yl]methyl 4-(4-chlorophenyl)butanoate | C21H25ClO5

[5-(3-Methylbutoxy)-4-oxo-4H-pyran-2-yl]methyl 4-(4-chlorophenyl)butanoate

  • Molecular FormulaC21H25ClO5
  • Average mass392.873 Da
  • Monoisotopic mass392.139038 Da
  • ChemSpider ID27347572

More details:

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

[5-(3-Methylbutoxy)-4-oxo-4H-pyran-2-yl]methyl 4-(4-chlorophenyl)butanoate [ACD/IUPAC Name]
[5-(3-Methylbutoxy)-4-oxo-4H-pyran-2-yl]methyl-4-(4-chlorphenyl)butanoat [German] [ACD/IUPAC Name]
4-(4-Chlorophényl)butanoate de [5-(3-méthylbutoxy)-4-oxo-4H-pyran-2-yl]méthyle [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 4-chloro-, [5-(3-methylbutoxy)-4-oxo-4H-pyran-2-yl]methyl ester [ACD/Index 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: 549.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 194.2±29.1 °C
Index of Refraction: 1.548
Molar Refractivity: 103.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6597.97
ACD/KOC (pH 5.5): 18859.28
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6597.97
ACD/KOC (pH 7.4): 18859.28
Polar Surface Area: 62 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 326.7±5.0 cm3

Click to predict properties on the Chemicalize site


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