ChemSpider 2D Image | 4-(3-Ethoxy-3-oxopropyl)bicyclo[2.2.2]octane-1-carboxylic acid | C14H22O4

4-(3-Ethoxy-3-oxopropyl)bicyclo[2.2.2]octane-1-carboxylic acid

  • Molecular FormulaC14H22O4
  • Average mass254.322 Da
  • Monoisotopic mass254.151810 Da
  • ChemSpider ID24609286

More details:

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

4-(3-Ethoxy-3-oxopropyl)bicyclo[2.2.2]octan-1-carbonsäure [German] [ACD/IUPAC Name]
4-(3-Ethoxy-3-oxopropyl)bicyclo[2.2.2]octane-1-carboxylic acid [ACD/IUPAC Name]
Acide 4-(3-éthoxy-3-oxopropyl)bicyclo[2.2.2]octane-1-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[2.2.2]octane-1-propanoic acid, 4-carboxy-, α-ethyl ester [ACD/Index Name]
88102-22-1 [RN]
MFCD17014875

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

Density: 1.2±0.1 g/cm3
Boiling Point: 364.4±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.1±6.0 kJ/mol
Flash Point: 130.5±13.9 °C
Index of Refraction: 1.524
Molar Refractivity: 65.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 17.03
ACD/KOC (pH 5.5): 179.37
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.14
Polar Surface Area: 64 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 215.3±3.0 cm3

Click to predict properties on the Chemicalize site


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