ChemSpider 2D Image | Tetramethyl 1,1'-(1,2-ethanediyl)bis(2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate) | C42H36N2O8

Tetramethyl 1,1'-(1,2-ethanediyl)bis(2,5-diphenyl-1H-pyrrole-3,4-dicarboxylate)

  • Molecular FormulaC42H36N2O8
  • Average mass696.744 Da
  • Monoisotopic mass696.247192 Da
  • ChemSpider ID315252

More details:

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

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

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

NSC608317 [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: 828.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 454.6±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 197.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 8.07
ACD/LogD (pH 5.5): 7.89
ACD/BCF (pH 5.5): 586720.38
ACD/KOC (pH 5.5): 468396.63
ACD/LogD (pH 7.4): 7.89
ACD/BCF (pH 7.4): 586720.38
ACD/KOC (pH 7.4): 468396.63
Polar Surface Area: 115 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 569.0±7.0 cm3

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