ChemSpider 2D Image | (cis-4-Phenylcyclohexyl)acetic acid | C14H18O2

(cis-4-Phenylcyclohexyl)acetic acid

  • Molecular FormulaC14H18O2
  • Average mass218.292 Da
  • Monoisotopic mass218.130676 Da
  • ChemSpider ID44209172

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(cis-4-Phenylcyclohexyl)acetic acid [ACD/IUPAC Name]
(cis-4-Phenylcyclohexyl)essigsäure [German] [ACD/IUPAC Name]
Acide (cis-4-phénylcyclohexyl)acétique [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 4-phenyl-, cis- [ACD/Index Name]
148962-93-0 [RN]
2-((1s,4s)-4-phenylcyclohexyl)acetic acid
CS-15428

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 379.1±11.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.2±3.0 kJ/mol
    Flash Point: 276.0±14.4 °C
    Index of Refraction: 1.534
    Molar Refractivity: 63.0±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.66
    ACD/LogD (pH 5.5): 2.63
    ACD/BCF (pH 5.5): 37.13
    ACD/KOC (pH 5.5): 266.62
    ACD/LogD (pH 7.4): 0.83
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.24
    Polar Surface Area: 37 Å2
    Polarizability: 25.0±0.5 10-24cm3
    Surface Tension: 43.0±3.0 dyne/cm
    Molar Volume: 202.8±3.0 cm3

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