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

Ethyl (trans-4-phenylcyclohexyl)acetate

  • Molecular FormulaC16H22O2
  • Average mass246.345 Da
  • Monoisotopic mass246.161987 Da
  • ChemSpider ID29340865

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(trans-4-Phénylcyclohexyl)acétate d'éthyle [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 4-phenyl-, ethyl ester, trans- [ACD/Index Name]
Ethyl (trans-4-phenylcyclohexyl)acetate [ACD/IUPAC Name]
Ethyl-(trans-4-phenylcyclohexyl)acetat [German] [ACD/IUPAC Name]
1031336-66-9 [RN]
CS-14352
Cyclohexaneacetic acid,4-phenyl-,ethyl ester,trans-
Ethyl 2-((1R,4R)-4-phenylcyclohexyl)acetate
MFCD22572813

    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

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