ChemSpider 2D Image | 3,3'-Dibenzyl 5,5'-diethyl 4,4'-dipropyl-1H,1'H-2,2'-bipyrrole-3,3',5,5'-tetracarboxylate | C36H40N2O8

3,3'-Dibenzyl 5,5'-diethyl 4,4'-dipropyl-1H,1'H-2,2'-bipyrrole-3,3',5,5'-tetracarboxylate

  • Molecular FormulaC36H40N2O8
  • Average mass628.711 Da
  • Monoisotopic mass628.278442 Da
  • ChemSpider ID10605441

More details:

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

[2,2'-Bi-1H-pyrrole]-3,3',5,5'-tetracarboxylic acid, 4,4'-dipropyl-, 5,5'-diethyl 3,3'-bis(phenylmethyl) ester [ACD/Index Name]
3,3'-Dibenzyl 5,5'-diethyl 4,4'-dipropyl-1H,1'H-2,2'-bipyrrole-3,3',5,5'-tetracarboxylate [ACD/IUPAC Name]
3,3'-Dibenzyl-5,5'-diethyl-4,4'-dipropyl-1H,1'H-2,2'-bipyrrol-3,3',5,5'-tetracarboxylat [German] [ACD/IUPAC Name]
4,4'-Dipropyl-1H,1'H-2,2'-bipyrrole-3,3',5,5'-tétracarboxylate de 3,3'-dibenzyle et de 5,5'-diéthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 807.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 442.3±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 173.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 10.84
ACD/LogD (pH 5.5): 8.81
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1485868.50
ACD/LogD (pH 7.4): 8.81
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1485866.88
Polar Surface Area: 137 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 516.0±3.0 cm3

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