ChemSpider 2D Image | 4-Pentylbicyclo[2.2.2]octane-1-carboxylic acid | C14H24O2

4-Pentylbicyclo[2.2.2]octane-1-carboxylic acid

  • Molecular FormulaC14H24O2
  • Average mass224.339 Da
  • Monoisotopic mass224.177628 Da
  • ChemSpider ID23076147

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Pentylbicyclo[2.2.2]octan-1-carbonsäure [German] [ACD/IUPAC Name]
4-Pentylbicyclo[2.2.2]octane-1-carboxylic acid [ACD/IUPAC Name]
73152-70-2 [RN]
Acide 4-pentylbicyclo[2.2.2]octane-1-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[2.2.2]octane-1-carboxylic acid, 4-pentyl- [ACD/Index Name]
4-PentYl-Bicyclo[2.2.2]Octane-1-Carboxylic Acid

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

MFCD00192383 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 345.2±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 64.7±6.0 kJ/mol
Flash Point: 165.4±13.7 °C
Index of Refraction: 1.517
Molar Refractivity: 64.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 315.37
ACD/KOC (pH 5.5): 1498.28
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 5.72
ACD/KOC (pH 7.4): 27.18
Polar Surface Area: 37 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 211.8±3.0 cm3

Click to predict properties on the Chemicalize site


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