ChemSpider 2D Image | 4-Pentylcyclohexanecarboxylic acid | C12H22O2

4-Pentylcyclohexanecarboxylic acid

  • Molecular FormulaC12H22O2
  • Average mass198.302 Da
  • Monoisotopic mass198.161987 Da
  • ChemSpider ID75572575

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

4-Pentylcyclohexancarbonsäure [German] [ACD/IUPAC Name]
4-Pentylcyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide 4-pentylcyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-pentyl- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 304.6±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 59.9±6.0 kJ/mol
Flash Point: 147.4±13.7 °C
Index of Refraction: 1.466
Molar Refractivity: 57.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 153.71
ACD/KOC (pH 5.5): 826.46
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 2.58
ACD/KOC (pH 7.4): 13.88
Polar Surface Area: 37 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 205.8±3.0 cm3

Click to predict properties on the Chemicalize site


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