ChemSpider 2D Image | (S)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate | C28H38O5

(S)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate

  • Molecular FormulaC28H38O5
  • Average mass454.598 Da
  • Monoisotopic mass454.271912 Da
  • ChemSpider ID18695810

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate
4-(Hexyloxy)benzoate de 4-{[(2S)-2-octanyloxy]carbonyl}phényle [French] [ACD/IUPAC Name]
4-{[(2S)-2-Octanyloxy]carbonyl}phenyl 4-(hexyloxy)benzoate [ACD/IUPAC Name]
4-{[(2S)-2-Octanyloxy]carbonyl}phenyl-4-(hexyloxy)benzoat [German] [ACD/IUPAC Name]
4-{[(2S)-Octan-2-yloxy]carbonyl}phenyl 4-(hexyloxy)benzoate
87321-20-8 [RN]
Benzoic acid, 4-(hexyloxy)-, 4-[[[(1S)-1-methylheptyl]oxy]carbonyl]phenyl ester [ACD/Index Name]
(2S)-OCTAN-2-YL 4-[4-(HEXYLOXY)BENZOYLOXY]BENZOATE
(s)-2-octyl 4-[4-(hexyloxy)benzoyloxy]benzoate
(S)-Octan-2-yl 4-((4-(hexyloxy)-benzoyl)oxy)benzoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 565.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.0±3.0 kJ/mol
    Flash Point: 238.5±26.0 °C
    Index of Refraction: 1.521
    Molar Refractivity: 131.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 17
    #Rule of 5 Violations: 1
    ACD/LogP: 10.18
    ACD/LogD (pH 5.5): 9.11
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 2157593.25
    ACD/LogD (pH 7.4): 9.11
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 2157593.25
    Polar Surface Area: 62 Å2
    Polarizability: 52.3±0.5 10-24cm3
    Surface Tension: 38.8±3.0 dyne/cm
    Molar Volume: 433.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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