ChemSpider 2D Image | Ethyl 2-(3-chlorobenzoyl)-3-methylbutanoate | C14H17ClO3

Ethyl 2-(3-chlorobenzoyl)-3-methylbutanoate

  • Molecular FormulaC14H17ClO3
  • Average mass268.736 Da
  • Monoisotopic mass268.086609 Da
  • ChemSpider ID39166626

More details:

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

1285476-25-6 [RN]
2-(3-Chlorobenzoyl)-3-méthylbutanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 3-chloro-α-(1-methylethyl)-β-oxo-, ethyl ester [ACD/Index Name]
Ethyl 2-(3-chlorobenzoyl)-3-methylbutanoate [ACD/IUPAC Name]
Ethyl-2-(3-chlorbenzoyl)-3-methylbutanoat [German] [ACD/IUPAC Name]
MFCD16502405

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

Density: 1.1±0.1 g/cm3
Boiling Point: 346.5±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.1±3.0 kJ/mol
Flash Point: 128.6±21.3 °C
Index of Refraction: 1.510
Molar Refractivity: 70.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 325.34
ACD/KOC (pH 5.5): 2187.45
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 325.30
ACD/KOC (pH 7.4): 2187.18
Polar Surface Area: 43 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 236.2±3.0 cm3

Click to predict properties on the Chemicalize site


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