ChemSpider 2D Image | Tetramethyl 1,1'-(1,2-ethanediyl)bis[2-ethyl-5-(4-methylphenyl)-1H-pyrrole-3,4-dicarboxylate] | C36H40N2O8

Tetramethyl 1,1'-(1,2-ethanediyl)bis[2-ethyl-5-(4-methylphenyl)-1H-pyrrole-3,4-dicarboxylate]

  • Molecular FormulaC36H40N2O8
  • Average mass628.711 Da
  • Monoisotopic mass628.278442 Da
  • ChemSpider ID315251

More details:

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

1,1'-(1,2-Éthanediyl)bis[2-éthyl-5-(4-méthylphényl)-1H-pyrrole-3,4-dicarboxylate] de tétraméthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-3,4-dicarboxylic acid, 1,1'-(1,2-ethanediyl)bis[2-ethyl-5-(4-methylphenyl)-, tetramethyl ester [ACD/Index Name]
Tetramethyl 1,1'-(1,2-ethanediyl)bis[2-ethyl-5-(4-methylphenyl)-1H-pyrrole-3,4-dicarboxylate] [ACD/IUPAC Name]
Tetramethyl-1,1'-(1,2-ethandiyl)bis[2-ethyl-5-(4-methylphenyl)-1H-pyrrol-3,4-dicarboxylat] [German] [ACD/IUPAC Name]

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

NSC608316 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 749.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 406.9±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 173.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 7.19
ACD/LogD (pH 5.5): 6.99
ACD/BCF (pH 5.5): 119746.36
ACD/KOC (pH 5.5): 150175.31
ACD/LogD (pH 7.4): 6.99
ACD/BCF (pH 7.4): 119746.36
ACD/KOC (pH 7.4): 150175.31
Polar Surface Area: 115 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 41.0±7.0 dyne/cm
Molar Volume: 526.5±7.0 cm3

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