ChemSpider 2D Image | 3,6,13,16,23,26-Hexaoxatetracyclo[26.2.2.2~8,11~.2~18,21~]hexatriaconta-1(30),8,10,18,20,28,31,33,35-nonaene-2,7,12,17,22,27-hexone | C30H24O12

3,6,13,16,23,26-Hexaoxatetracyclo[26.2.2.28,11.218,21]hexatriaconta-1(30),8,10,18,20,28,31,33,35-nonaene-2,7,12,17,22,27-hexone

  • Molecular FormulaC30H24O12
  • Average mass576.504 Da
  • Monoisotopic mass576.126770 Da
  • ChemSpider ID48061332

More details:

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

3,6,13,16,23,26-Hexaoxatetracyclo[26.2.2.28,11.218,21]hexatriaconta-1(30),8,10,18,20,28,31,33,35-nonaen-2,7,12,17,22,27-hexon [German] [ACD/IUPAC Name]
3,6,13,16,23,26-Hexaoxatetracyclo[26.2.2.28,11.218,21]hexatriaconta-1(30),8,10,18,20,28,31,33,35-nonaene-2,7,12,17,22,27-hexone [ACD/IUPAC Name]
3,6,13,16,23,26-Hexaoxatétracyclo[26.2.2.28,11.218,21]hexatriaconta-1(30),8,10,18,20,28,31,33,35-nonaène-2,7,12,17,22,27-hexone [French] [ACD/IUPAC Name]
3,6,13,16,23,26-Hexaoxatetracyclo[26.2.2.28,11.218,21]hexatriaconta-8,10,18,20,28,30,31,33,35-nonaene-2,7,12,17,22,27-hexone [ACD/Index Name]
3,6,13,16,23,26-hexaoxatetracyclo[26.2.2.2?,¹¹.2¹?,²¹]hexatriaconta-1(30),8,10,18,20,28,31,33,35-nonaene-2,7,12,17,22,27-hexone
7441-32-9 [RN]
ethylene terephthalate cyclic trimer

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 956.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 139.4±3.0 kJ/mol
    Flash Point: 393.1±34.3 °C
    Index of Refraction: 1.546
    Molar Refractivity: 139.5±0.3 cm3
    #H bond acceptors: 12
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 2
    ACD/LogP: 1.05
    ACD/LogD (pH 5.5): 2.98
    ACD/BCF (pH 5.5): 108.74
    ACD/KOC (pH 5.5): 998.27
    ACD/LogD (pH 7.4): 2.98
    ACD/BCF (pH 7.4): 108.74
    ACD/KOC (pH 7.4): 998.27
    Polar Surface Area: 158 Å2
    Polarizability: 55.3±0.5 10-24cm3
    Surface Tension: 46.5±3.0 dyne/cm
    Molar Volume: 440.4±3.0 cm3

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