ChemSpider 2D Image | Ethyl 4-[(1R)-3-oxocyclopentyl]benzoate | C14H16O3

Ethyl 4-[(1R)-3-oxocyclopentyl]benzoate

  • Molecular FormulaC14H16O3
  • Average mass232.275 Da
  • Monoisotopic mass232.109940 Da
  • ChemSpider ID32789438

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-[(1R)-3-Oxocyclopentyl]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(1R)-3-oxocyclopentyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-[(1R)-3-oxocyclopentyl]benzoate [ACD/IUPAC Name]
Ethyl-4-[(1R)-3-oxocyclopentyl]benzoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 369.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.6±3.0 kJ/mol
Flash Point: 163.4±27.9 °C
Index of Refraction: 1.541
Molar Refractivity: 64.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.39
ACD/KOC (pH 5.5): 464.93
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.39
ACD/KOC (pH 7.4): 464.93
Polar Surface Area: 43 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 203.8±3.0 cm3

Click to predict properties on the Chemicalize site


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