ChemSpider 2D Image | Methyl 5-(4-chloro-3-methylphenyl)-3-methyl-5-oxopentanoate | C14H17ClO3

Methyl 5-(4-chloro-3-methylphenyl)-3-methyl-5-oxopentanoate

  • Molecular FormulaC14H17ClO3
  • Average mass268.736 Da
  • Monoisotopic mass268.086609 Da
  • ChemSpider ID35331341

More details:

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

5-(4-Chloro-3-méthylphényl)-3-méthyl-5-oxopentanoate de méthyle [French] [ACD/IUPAC Name]
Benzenepentanoic acid, 4-chloro-β,3-dimethyl-δ-oxo-, methyl ester [ACD/Index Name]
Methyl 5-(4-chloro-3-methylphenyl)-3-methyl-5-oxopentanoate [ACD/IUPAC Name]
Methyl-5-(4-chlor-3-methylphenyl)-3-methyl-5-oxopentanoat [German] [ACD/IUPAC Name]
1443341-32-9 [RN]
atoms 18 bonds 18
Methyl 5-(4-chloro-3-methylphenyl)-3-methyl-5-oxovalerate
MFCD07782936

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

Density: 1.1±0.1 g/cm3
Boiling Point: 381.9±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 147.8±24.1 °C
Index of Refraction: 1.514
Molar Refractivity: 70.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 387.51
ACD/KOC (pH 5.5): 2479.12
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 387.51
ACD/KOC (pH 7.4): 2479.12
Polar Surface Area: 43 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 235.6±3.0 cm3

Click to predict properties on the Chemicalize site


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