ChemSpider 2D Image | 2,4-Bis{[(2-ethylhexyl)oxy]carbonyl}benzoic acid | C25H38O6

2,4-Bis{[(2-ethylhexyl)oxy]carbonyl}benzoic acid

  • Molecular FormulaC25H38O6
  • Average mass434.566 Da
  • Monoisotopic mass434.266846 Da
  • ChemSpider ID58781792

More details:

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

1,2,4-Benzenetricarboxylic acid, 2,4-bis(2-ethylhexyl) ester [ACD/Index Name]
2,4-Bis(2-ethylhexyl) hydrogen 1,2,4-benzenetricarboxylate
2,4-Bis{[(2-ethylhexyl)oxy]carbonyl}benzoesäure [German] [ACD/IUPAC Name]
2,4-Bis{[(2-ethylhexyl)oxy]carbonyl}benzoic acid [ACD/IUPAC Name]
63468-11-1 [RN]
Acide 2,4-bis{[(2-éthylhexyl)oxy]carbonyl}benzoïque [French] [ACD/IUPAC Name]
1,2,4-Benzenetricarboxylic Acid 2,4-Bis(2-ethylhexyl) Ester
1,2,4-Benzenetricarboxylic Acid 2,4-Bis(2-ethylhexyl) Ester(Mixture of Diastereomers)
2,4-bis(((2-ethylhexyl)oxy)carbonyl)benzoic acid
2,4-Bis(2-ethylhexoxycarbonyl)benzoic acid

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 545.4±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 86.7±3.0 kJ/mol
    Flash Point: 173.2±20.8 °C
    Index of Refraction: 1.505
    Molar Refractivity: 121.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 17
    #Rule of 5 Violations: 1
    ACD/LogP: 8.88
    ACD/LogD (pH 5.5): 5.69
    ACD/BCF (pH 5.5): 3189.52
    ACD/KOC (pH 5.5): 2259.93
    ACD/LogD (pH 7.4): 5.00
    ACD/BCF (pH 7.4): 664.32
    ACD/KOC (pH 7.4): 470.70
    Polar Surface Area: 90 Å2
    Polarizability: 48.2±0.5 10-24cm3
    Surface Tension: 40.1±3.0 dyne/cm
    Molar Volume: 409.6±3.0 cm3

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