ChemSpider 2D Image | 2-[(2R)-2-Ethylhexyl] 1,4-bis[(2S)-2-ethylhexyl] 1,2,4-benzenetricarboxylate | C33H54O6

2-[(2R)-2-Ethylhexyl] 1,4-bis[(2S)-2-ethylhexyl] 1,2,4-benzenetricarboxylate

  • Molecular FormulaC33H54O6
  • Average mass546.778 Da
  • Monoisotopic mass546.392029 Da
  • ChemSpider ID34996383

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,2,4-Benzènetricarboxylate de 2-[(2R)-2-éthylhexyle] et de 1,4-bis[(2S)-2-éthylhexyle] [French] [ACD/IUPAC Name]
1,2,4-Benzenetricarboxylic acid, 2-[(2R)-2-ethylhexyl] 1,4-bis[(2S)-2-ethylhexyl] ester [ACD/Index Name]
2-[(2R)-2-Ethylhexyl] 1,4-bis[(2S)-2-ethylhexyl] 1,2,4-benzenetricarboxylate [ACD/IUPAC Name]
2-[(2R)-2-Ethylhexyl]-1,4-bis[(2S)-2-ethylhexyl]-1,2,4-benzoltricarboxylat [German] [ACD/IUPAC Name]
2-((R)-2-ethylhexyl) 1,4-bis((S)-2-ethylhexyl) benzene-1,2,4-tricarboxylate
222-020-0 [EINECS]
3319-31-1 [RN]
MFCD30176389
tri(2-Ethylhexyl) trimellitate
TRIETHYLHEXYL TRIMELLITATE
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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: 414.0±0.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.7±3.0 kJ/mol
    Flash Point: 238.3±24.6 °C
    Index of Refraction: 1.488
    Molar Refractivity: 158.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 24
    #Rule of 5 Violations: 2
    ACD/LogP: 12.80
    ACD/LogD (pH 5.5): 10.87
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 10000000.00
    ACD/LogD (pH 7.4): 10.87
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 10000000.00
    Polar Surface Area: 79 Å2
    Polarizability: 62.9±0.5 10-24cm3
    Surface Tension: 36.0±3.0 dyne/cm
    Molar Volume: 550.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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