ChemSpider 2D Image | 4-(cis-4-Propylcyclohexyl)benzoic acid | C16H22O2

4-(cis-4-Propylcyclohexyl)benzoic acid

  • Molecular FormulaC16H22O2
  • Average mass246.345 Da
  • Monoisotopic mass246.161987 Da
  • ChemSpider ID113606885

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-(cis-4-Propylcyclohexyl)benzoesäure [German] [ACD/IUPAC Name]
4-(cis-4-Propylcyclohexyl)benzoic acid [ACD/IUPAC Name]
Acide 4-(cis-4-propylcyclohexyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(cis-4-propylcyclohexyl)- [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: 383.7±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 181.9±16.7 °C
Index of Refraction: 1.528
Molar Refractivity: 73.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 306.85
ACD/KOC (pH 5.5): 961.23
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 7.46
ACD/KOC (pH 7.4): 23.37
Polar Surface Area: 37 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 237.2±3.0 cm3

Click to predict properties on the Chemicalize site


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