ChemSpider 2D Image | Methyl 5-acetyl-2-methylbenzoate | C11H12O3

Methyl 5-acetyl-2-methylbenzoate

  • Molecular FormulaC11H12O3
  • Average mass192.211 Da
  • Monoisotopic mass192.078644 Da
  • ChemSpider ID57577201

More details:

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

5-Acétyl-2-méthylbenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-acetyl-2-methyl-, methyl ester [ACD/Index Name]
Methyl 5-acetyl-2-methylbenzoate [ACD/IUPAC Name]
Methyl-5-acetyl-2-methylbenzoat [German] [ACD/IUPAC Name]
1200372-00-4 [RN]
MFCD22381622

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

Density: 1.1±0.1 g/cm3
Boiling Point: 305.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.5±3.0 kJ/mol
Flash Point: 133.1±24.6 °C
Index of Refraction: 1.516
Molar Refractivity: 52.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.51
ACD/KOC (pH 5.5): 509.68
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.51
ACD/KOC (pH 7.4): 509.68
Polar Surface Area: 43 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 175.1±3.0 cm3

Click to predict properties on the Chemicalize site


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