ChemSpider 2D Image | 4-Ethoxyphenyl 4-(trans-4-pentylcyclohexyl)benzoate | C26H34O3

4-Ethoxyphenyl 4-(trans-4-pentylcyclohexyl)benzoate

  • Molecular FormulaC26H34O3
  • Average mass394.546 Da
  • Monoisotopic mass394.250793 Da
  • ChemSpider ID24609211

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-(trans-4-Pentylcyclohexyl)benzoate de 4-éthoxyphényle [French] [ACD/IUPAC Name]
4-Ethoxyphenyl 4-(trans-4-pentylcyclohexyl)benzoate [ACD/IUPAC Name]
4-Ethoxyphenyl-4-(trans-4-pentylcyclohexyl)benzoat [German] [ACD/IUPAC Name]
95973-51-6 [RN]
Benzoic acid, 4-(trans-4-pentylcyclohexyl)-, 4-ethoxyphenyl ester [ACD/Index Name]
4-Ethoxylphenyl-4-Trans-Pentylcyclohexylbenzoate
4-Ethoxyphenyl 2-(trans-4-pentylcyclohexyl)benzoate
4-Ethoxyphenyl 4-trans-(4-pentylcyclohexyl)benzoate
4-ETHOXYPHENYL-4-TRANS-(4-PENTYLCYCLOHEXYL)BENZOATE
MFCD09952999 [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: 521.9±43.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.5±3.0 kJ/mol
    Flash Point: 226.7±22.8 °C
    Index of Refraction: 1.532
    Molar Refractivity: 118.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 9.38
    ACD/LogD (pH 5.5): 8.27
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 752217.19
    ACD/LogD (pH 7.4): 8.27
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 752217.19
    Polar Surface Area: 36 Å2
    Polarizability: 46.9±0.5 10-24cm3
    Surface Tension: 38.5±3.0 dyne/cm
    Molar Volume: 381.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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