ChemSpider 2D Image | 2,5-Bis{[(trans-4-pentylcyclohexyl)carbonyl]oxy}benzoic acid | C31H46O6

2,5-Bis{[(trans-4-pentylcyclohexyl)carbonyl]oxy}benzoic acid

  • Molecular FormulaC31H46O6
  • Average mass514.693 Da
  • Monoisotopic mass514.329468 Da
  • ChemSpider ID73987322

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2,5-Bis{[(trans-4-pentylcyclohexyl)carbonyl]oxy}benzoesäure [German] [ACD/IUPAC Name]
2,5-Bis{[(trans-4-pentylcyclohexyl)carbonyl]oxy}benzoic acid [ACD/IUPAC Name]
Acide 2,5-bis{[(trans-4-pentylcyclohexyl)carbonyl]oxy}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2,5-bis[[(trans-4-pentylcyclohexyl)carbonyl]oxy]- [ACD/Index Name]
2,5-Bis[[(trans-4-pentylcyclohexyl)carbonyl]oxy]benzoic acid
360053-41-4 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 627.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 97.7±3.0 kJ/mol
    Flash Point: 194.2±23.6 °C
    Index of Refraction: 1.517
    Molar Refractivity: 144.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 2
    ACD/LogP: 10.23
    ACD/LogD (pH 5.5): 6.82
    ACD/BCF (pH 5.5): 20675.20
    ACD/KOC (pH 5.5): 7562.06
    ACD/LogD (pH 7.4): 6.32
    ACD/BCF (pH 7.4): 6653.17
    ACD/KOC (pH 7.4): 2433.44
    Polar Surface Area: 90 Å2
    Polarizability: 57.1±0.5 10-24cm3
    Surface Tension: 41.3±3.0 dyne/cm
    Molar Volume: 476.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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