ChemSpider 2D Image | 1-tert-Butyl 3-ethyl 2,5-dihydro-1H-pyrrole-1,3-dicarboxylate | C12H19NO4

1-tert-Butyl 3-ethyl 2,5-dihydro-1H-pyrrole-1,3-dicarboxylate

  • Molecular FormulaC12H19NO4
  • Average mass241.284 Da
  • Monoisotopic mass241.131409 Da
  • ChemSpider ID28688571

More details:

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

146257-00-3 [RN]
1H-Pyrrole-1,3-dicarboxylic acid, 2,5-dihydro-, 1-(1,1-dimethylethyl) 3-ethyl ester [ACD/Index Name]
1-tert-Butyl 3-ethyl 2,5-dihydro-1H-pyrrole-1,3-dicarboxylate
2,5-Dihydro-1H-pyrrole-1,3-dicarboxylate de 3-éthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
3-Ethyl 1-(2-methyl-2-propanyl) 2,5-dihydro-1H-pyrrole-1,3-dicarboxylate [ACD/IUPAC Name]
3-Ethyl-1-(2-methyl-2-propanyl)-2,5-dihydro-1H-pyrrol-1,3-dicarboxylat [German] [ACD/IUPAC Name]
[146257-00-3] [RN]
1-(tert-butyl) 3-ethyl 2,5-dihydro-1H-pyrrole-1,3-dicarboxylate
1-O-tert-butyl 3-O-ethyl 2,5-dihydropyrrole-1,3-dicarboxylate
1-tert-Butyl 3-ethyl 1H-pyrrole-1,3(2H,5H)-dicarboxylate
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 313.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.4±3.0 kJ/mol
    Flash Point: 143.2±27.9 °C
    Index of Refraction: 1.496
    Molar Refractivity: 62.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.16
    ACD/LogD (pH 5.5): 2.45
    ACD/BCF (pH 5.5): 42.52
    ACD/KOC (pH 5.5): 509.79
    ACD/LogD (pH 7.4): 2.45
    ACD/BCF (pH 7.4): 42.52
    ACD/KOC (pH 7.4): 509.79
    Polar Surface Area: 56 Å2
    Polarizability: 24.6±0.5 10-24cm3
    Surface Tension: 41.4±3.0 dyne/cm
    Molar Volume: 212.4±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement