ChemSpider 2D Image | 4-Butylcyclohexyl Benzoic Acid | C17H24O2

4-Butylcyclohexyl Benzoic Acid

  • Molecular FormulaC17H24O2
  • Average mass260.371 Da
  • Monoisotopic mass260.177643 Da
  • ChemSpider ID23346462

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-(trans-4-Butylcyclohexyl)benzoesäure [German] [ACD/IUPAC Name]
4-(trans-4-Butylcyclohexyl)benzoic acid [ACD/IUPAC Name]
4-Butylcyclohexyl Benzoic Acid
83626-35-1 [RN]
Acide 4-(trans-4-butylcyclohexyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(trans-4-butylcyclohexyl)- [ACD/Index Name]
4-(trans-4-Butylcyclohexyl)benzoic Acid (en)
4-(trans-4-n-Butylcyclohexyl)benzoic acid
4-TRANS-BUTYLCYCLOHEXYL BENZOIC ACID
DS-17497
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 397.2±21.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.3±3.0 kJ/mol
    Flash Point: 188.6±16.7 °C
    Index of Refraction: 1.524
    Molar Refractivity: 77.6±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 6.50
    ACD/LogD (pH 5.5): 4.22
    ACD/BCF (pH 5.5): 491.94
    ACD/KOC (pH 5.5): 1347.59
    ACD/LogD (pH 7.4): 2.61
    ACD/BCF (pH 7.4): 11.96
    ACD/KOC (pH 7.4): 32.76
    Polar Surface Area: 37 Å2
    Polarizability: 30.8±0.5 10-24cm3
    Surface Tension: 40.3±3.0 dyne/cm
    Molar Volume: 253.8±3.0 cm3

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