ChemSpider 2D Image | 2-Ethyl 4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate | C12H17NO4

2-Ethyl 4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate

  • Molecular FormulaC12H17NO4
  • Average mass239.268 Da
  • Monoisotopic mass239.115753 Da
  • ChemSpider ID30657449

More details:

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

1H-Pyrrole-2,4-dicarboxylic acid, 5-ethyl-3-methyl-, 2-ethyl 4-methyl ester [ACD/Index Name]
2-Ethyl 4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate [ACD/IUPAC Name]
2-Ethyl-4-methyl-5-ethyl-3-methyl-1H-pyrrol-2,4-dicarboxylat [German] [ACD/IUPAC Name]
5-Éthyl-3-méthyl-1H-pyrrole-2,4-dicarboxylate de 2-éthyle et de 4-méthyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 394.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 192.4±27.9 °C
Index of Refraction: 1.517
Molar Refractivity: 63.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 98.24
ACD/KOC (pH 5.5): 928.31
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 98.24
ACD/KOC (pH 7.4): 928.31
Polar Surface Area: 68 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 209.1±3.0 cm3

Click to predict properties on the Chemicalize site


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