ChemSpider 2D Image | Didodecyl 2,2'-(1-benzoyl-1H-pyrrole-3,4-diyl)diacetate | C39H61NO5

Didodecyl 2,2'-(1-benzoyl-1H-pyrrole-3,4-diyl)diacetate

  • Molecular FormulaC39H61NO5
  • Average mass623.905 Da
  • Monoisotopic mass623.454956 Da
  • ChemSpider ID8897919

More details:






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

1H-Pyrrole-3,4-diacetic acid, 1-benzoyl-, didodecyl ester [ACD/Index Name]
2,2'-(1-Benzoyl-1H-pyrrole-3,4-diyl)diacétate de didodécyle [French] [ACD/IUPAC Name]
Didodecyl 2,2'-(1-benzoyl-1H-pyrrole-3,4-diyl)diacetate [ACD/IUPAC Name]
Didodecyl-2,2'-(1-benzoyl-1H-pyrrol-3,4-diyl)diacetat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 646.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.5±31.5 °C
Index of Refraction: 1.516
Molar Refractivity: 186.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 2
ACD/LogP: 14.10
ACD/LogD (pH 5.5): 13.58
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.58
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 75 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 37.5±7.0 dyne/cm
Molar Volume: 616.1±7.0 cm3

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