ChemSpider 2D Image | 1,3-Dimethyl 2-(2-methyl-2-propanyl) citrate | C12H20O7

1,3-Dimethyl 2-(2-methyl-2-propanyl) citrate

  • Molecular FormulaC12H20O7
  • Average mass276.283 Da
  • Monoisotopic mass276.120911 Da
  • ChemSpider ID62939198

More details:

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

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 2-(1,1-dimethylethyl) 1,3-dimethyl ester [ACD/Index Name]
1,3-Dimethyl 2-(2-methyl-2-propanyl) citrate [ACD/IUPAC Name]
1,3-Dimethyl-2-(2-methyl-2-propanyl)citrat [German] [ACD/IUPAC Name]
Citrate de 1,3-diméthyle et de 2-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
114340-51-1 [RN]
2-(tert-butyl) 1,3-dimethyl 2-hydroxypropane-1,2,3-tricarboxylate
2-O-Tert-butyl 1-O,3-O-dimethyl 2-hydroxypropane-1,2,3-tricarboxylate
2-tert-butyl 1,3-dimethyl 2-hydroxypropane-1,2,3-tricarboxylate
2-tert-butyl 1,3-dimethyl 2-hydroxypropane-1,2,3-tricarboxylate(wxc09003)
3-tert-butyl 1,5-dimethyl citrate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 284.4±7.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 60.7±6.0 kJ/mol
    Flash Point: 90.7±11.7 °C
    Index of Refraction: 1.461
    Molar Refractivity: 64.4±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 1.13
    ACD/LogD (pH 5.5): 1.21
    ACD/BCF (pH 5.5): 4.85
    ACD/KOC (pH 5.5): 107.74
    ACD/LogD (pH 7.4): 1.20
    ACD/BCF (pH 7.4): 4.84
    ACD/KOC (pH 7.4): 107.64
    Polar Surface Area: 99 Å2
    Polarizability: 25.5±0.5 10-24cm3
    Surface Tension: 40.1±3.0 dyne/cm
    Molar Volume: 234.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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