ChemSpider 2D Image | 4-Butoxyphenyl 4-(trans-4-butylcyclohexyl)benzoate | C27H36O3

4-Butoxyphenyl 4-(trans-4-butylcyclohexyl)benzoate

  • Molecular FormulaC27H36O3
  • Average mass408.573 Da
  • Monoisotopic mass408.266449 Da
  • ChemSpider ID31102667

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-(trans-4-Butylcyclohexyl)benzoate de 4-butoxyphényle [French] [ACD/IUPAC Name]
4-Butoxyphenyl 4-(trans-4-butylcyclohexyl)benzoate [ACD/IUPAC Name]
4-Butoxyphenyl-4-(trans-4-butylcyclohexyl)benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 4-(trans-4-butylcyclohexyl)-, 4-butoxyphenyl ester [ACD/Index Name]
1858241-62-9 [RN]
4-n-Butoxyphenyl trans-4-(4-n-butylcyclohexyl)benzoate
MFCD22581218 [MDL number]
trans-4-(4-n-Butylcyclohexyl)benzoic acid 4-n-butoxyphenyl ester

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 533.3±43.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.9±3.0 kJ/mol
    Flash Point: 232.1±22.8 °C
    Index of Refraction: 1.530
    Molar Refractivity: 122.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 9.91
    ACD/LogD (pH 5.5): 8.13
    ACD/BCF (pH 5.5): 884852.31
    ACD/KOC (pH 5.5): 628548.63
    ACD/LogD (pH 7.4): 8.13
    ACD/BCF (pH 7.4): 884852.31
    ACD/KOC (pH 7.4): 628548.63
    Polar Surface Area: 36 Å2
    Polarizability: 48.7±0.5 10-24cm3
    Surface Tension: 38.3±3.0 dyne/cm
    Molar Volume: 398.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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