ChemSpider 2D Image | Ethyl (cis-4-phenylcyclohexyl)acetate | C16H22O2

Ethyl (cis-4-phenylcyclohexyl)acetate

  • Molecular FormulaC16H22O2
  • Average mass246.345 Da
  • Monoisotopic mass246.161987 Da
  • ChemSpider ID114393616

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(cis-4-Phénylcyclohexyl)acétate d'éthyle [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 4-phenyl-, ethyl ester, cis- [ACD/Index Name]
Ethyl (cis-4-phenylcyclohexyl)acetate [ACD/IUPAC Name]
Ethyl-(cis-4-phenylcyclohexyl)acetat [German] [ACD/IUPAC 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: 338.9±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.2±3.0 kJ/mol
Flash Point: 123.3±17.6 °C
Index of Refraction: 1.504
Molar Refractivity: 72.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2021.68
ACD/KOC (pH 5.5): 8087.70
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2021.68
ACD/KOC (pH 7.4): 8087.70
Polar Surface Area: 26 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 244.7±3.0 cm3

Click to predict properties on the Chemicalize site


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