ChemSpider 2D Image | Benzene-1,3,5-triyl tris(3-methoxybenzoate) | C30H24O9

Benzene-1,3,5-triyl tris(3-methoxybenzoate)

  • Molecular FormulaC30H24O9
  • Average mass528.506 Da
  • Monoisotopic mass528.142029 Da
  • ChemSpider ID1154664

More details:

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

3,5-bis(3-methoxybenzoyloxy)phenyl 3-methoxybenzoate
Benzene-1,3,5-triyl tris(3-methoxybenzoate) [ACD/IUPAC Name]
Benzoic acid, 3-methoxy-, benzene-1,3,5-triyl ester [ACD/Index Name]
Benzol-1,3,5-triyl-tris(3-methoxybenzoat) [German] [ACD/IUPAC Name]
Tris(3-méthoxybenzoate) de benzène-1,3,5-triyle [French] [ACD/IUPAC Name]
[3,5-bis[(3-methoxybenzoyl)oxy]phenyl] 3-methoxybenzoate
412966-12-2 [RN]

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

CBDivE_014926 [DBID]
ZINC01233111 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 708.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 103.7±3.0 kJ/mol
    Flash Point: 299.2±32.9 °C
    Index of Refraction: 1.602
    Molar Refractivity: 141.2±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 6.83
    ACD/LogD (pH 5.5): 6.10
    ACD/BCF (pH 5.5): 25448.66
    ACD/KOC (pH 5.5): 49563.32
    ACD/LogD (pH 7.4): 6.10
    ACD/BCF (pH 7.4): 25448.66
    ACD/KOC (pH 7.4): 49563.32
    Polar Surface Area: 107 Å2
    Polarizability: 56.0±0.5 10-24cm3
    Surface Tension: 49.0±3.0 dyne/cm
    Molar Volume: 411.7±3.0 cm3

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