ChemSpider 2D Image | Diethyl 3-isopropyl-1H-pyrrole-2,4-dicarboxylate | C13H19NO4

Diethyl 3-isopropyl-1H-pyrrole-2,4-dicarboxylate

  • Molecular FormulaC13H19NO4
  • Average mass253.294 Da
  • Monoisotopic mass253.131409 Da
  • ChemSpider ID26000418

More details:

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

1H-Pyrrole-2,4-dicarboxylic acid, 3-(1-methylethyl)-, diethyl ester [ACD/Index Name]
3-Isopropyl-1H-pyrrole-2,4-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
651744-38-6 [RN]
Diethyl 3-isopropyl-1H-pyrrole-2,4-dicarboxylate [ACD/IUPAC Name]
Diethyl-3-isopropyl-1H-pyrrol-2,4-dicarboxylat [German] [ACD/IUPAC Name]
1,5-diethyl-3-propan-2-ylpyrrole-2,4-dicarboxylate
2,4-diethyl 3-(propan-2-yl)-1H-pyrrole-2,4-dicarboxylate
3-ISOPROPYL-1H-PYRROLE 2,4-DICARBOXYLIC ACID DIETHYL ESTER
Diethyl 3-(propan-2-yl)-1H-pyrrole-2,4-dicarboxylate
diethyl 3-isopropylpyrrole-2,4-dicarboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 397.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.8±3.0 kJ/mol
    Flash Point: 194.0±27.9 °C
    Index of Refraction: 1.509
    Molar Refractivity: 67.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.27
    ACD/LogD (pH 5.5): 3.37
    ACD/BCF (pH 5.5): 213.76
    ACD/KOC (pH 5.5): 1619.46
    ACD/LogD (pH 7.4): 3.37
    ACD/BCF (pH 7.4): 213.76
    ACD/KOC (pH 7.4): 1619.46
    Polar Surface Area: 68 Å2
    Polarizability: 26.8±0.5 10-24cm3
    Surface Tension: 40.4±3.0 dyne/cm
    Molar Volume: 226.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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