ChemSpider 2D Image | Diethyl 5-methyl-3-(4-methylphenyl)-1H-pyrrole-2,4-dicarboxylate | C18H21NO4

Diethyl 5-methyl-3-(4-methylphenyl)-1H-pyrrole-2,4-dicarboxylate

  • Molecular FormulaC18H21NO4
  • Average mass315.364 Da
  • Monoisotopic mass315.147064 Da
  • ChemSpider ID21120836

More details:

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

1H-Pyrrole-2,4-dicarboxylic acid, 5-methyl-3-(4-methylphenyl)-, diethyl ester [ACD/Index Name]
5-Méthyl-3-(4-méthylphényl)-1H-pyrrole-2,4-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 5-methyl-3-(4-methylphenyl)-1H-pyrrole-2,4-dicarboxylate [ACD/IUPAC Name]
Diethyl-5-methyl-3-(4-methylphenyl)-1H-pyrrol-2,4-dicarboxylat [German] [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: 513.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 264.3±30.1 °C
Index of Refraction: 1.552
Molar Refractivity: 87.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2071.69
ACD/KOC (pH 5.5): 8230.41
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2071.69
ACD/KOC (pH 7.4): 8230.41
Polar Surface Area: 68 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 274.4±3.0 cm3

Click to predict properties on the Chemicalize site


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