ChemSpider 2D Image | 4-Pentylphenyl 4-(trans-4-ethylcyclohexyl)benzoate | C26H34O2

4-Pentylphenyl 4-(trans-4-ethylcyclohexyl)benzoate

  • Molecular FormulaC26H34O2
  • Average mass378.547 Da
  • Monoisotopic mass378.255890 Da
  • ChemSpider ID28426334

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

122230-64-2 [RN]
4-(trans-4-Éthylcyclohexyl)benzoate de 4-pentylphényle [French] [ACD/IUPAC Name]
4-Pentylphenyl 4-(trans-4-ethylcyclohexyl)benzoate [ACD/IUPAC Name]
4-Pentylphenyl-4-(trans-4-ethylcyclohexyl)benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 4-(trans-4-ethylcyclohexyl)-, 4-pentylphenyl ester [ACD/Index Name]
4-n-Pentylphenyl trans-4-(4-ethylcyclohexyl)benzoate
4-pentylphenyl 4'-trans-ethylcyclohexylbenzoate
4-Pentylphenyl-4-Trans-EthylcyclohexylBenzoate
4-PENTYLPHENYL-4'-TRANS-ETHYLCYCLOHEXYLBENZOATE
MFCD09838994 [MDL number]
More...

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 503.1±39.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.2±3.0 kJ/mol
    Flash Point: 212.9±24.5 °C
    Index of Refraction: 1.536
    Molar Refractivity: 116.5±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 9.72
    ACD/LogD (pH 5.5): 8.91
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 1685489.50
    ACD/LogD (pH 7.4): 8.91
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 1685489.50
    Polar Surface Area: 26 Å2
    Polarizability: 46.2±0.5 10-24cm3
    Surface Tension: 38.4±3.0 dyne/cm
    Molar Volume: 374.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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