ChemSpider 2D Image | Bis(2-methyl-2-propanyl) 4-oxo-1,2-cyclohexanedicarboxylate | C16H26O5

Bis(2-methyl-2-propanyl) 4-oxo-1,2-cyclohexanedicarboxylate

  • Molecular FormulaC16H26O5
  • Average mass298.375 Da
  • Monoisotopic mass298.178009 Da
  • ChemSpider ID32779814

More details:

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

1,2-Cyclohexanedicarboxylic acid, 4-oxo-, bis(1,1-dimethylethyl) ester [ACD/Index Name]
4-Oxo-1,2-cyclohexanedicarboxylate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) 4-oxo-1,2-cyclohexanedicarboxylate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-4-oxo-1,2-cyclohexandicarboxylat [German] [ACD/IUPAC Name]
4-oxo-1,1-Cyclohexanedicarboxylic acid 1,1-bis(1,1-dimethylethyl) ester
4-Oxo-1,1-cyclohexanedicarboxylicacid1,1-bis(1,1-dimethylethyl)ester
925704-44-5 [RN]
Di-tert-butyl 4-oxocyclohexane-1,2-dicarboxylate
MFCD28134542

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 381.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.0±3.0 kJ/mol
    Flash Point: 164.5±27.9 °C
    Index of Refraction: 1.470
    Molar Refractivity: 77.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.46
    ACD/LogD (pH 5.5): 2.67
    ACD/BCF (pH 5.5): 63.34
    ACD/KOC (pH 5.5): 678.06
    ACD/LogD (pH 7.4): 2.67
    ACD/BCF (pH 7.4): 63.34
    ACD/KOC (pH 7.4): 678.06
    Polar Surface Area: 70 Å2
    Polarizability: 30.7±0.5 10-24cm3
    Surface Tension: 37.5±3.0 dyne/cm
    Molar Volume: 277.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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