ChemSpider 2D Image | MFCD03931770 | C27H32N2O9

MFCD03931770

  • Molecular FormulaC27H32N2O9
  • Average mass528.551 Da
  • Monoisotopic mass528.210754 Da
  • ChemSpider ID22918423

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrrole-2,4-dicarboxylic acid, 5,5'-[(1Z,4Z)-3-oxo-1,4-pentadiene-1,5-diyl]bis[3-methyl-, tetraethyl ester [ACD/Index Name]
5,5'-[(1Z,4Z)-3-Oxo-1,4-pentadiène-1,5-diyl]bis(3-méthyl-1H-pyrrole-2,4-dicarboxylate) de tétraéthyle [French] [ACD/IUPAC Name]
MFCD03931770
TETRAETHYL 5,5'-((1Z,4Z)-3-OXOPENTA-1,4-DIENE-1,5-DIYL)BIS(3-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE)
Tetraethyl 5,5'-[(1Z,4Z)-3-oxo-1,4-pentadiene-1,5-diyl]bis(3-methyl-1H-pyrrole-2,4-dicarboxylate) [ACD/IUPAC Name]
Tetraethyl-5,5'-[(1Z,4Z)-3-oxo-1,4-pentadien-1,5-diyl]bis(3-methyl-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: 1.3±0.1 g/cm3
Boiling Point: 756.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 411.2±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 141.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 9.20
ACD/LogD (pH 5.5): 6.57
ACD/BCF (pH 5.5): 57815.58
ACD/KOC (pH 5.5): 89177.03
ACD/LogD (pH 7.4): 6.57
ACD/BCF (pH 7.4): 57815.46
ACD/KOC (pH 7.4): 89176.84
Polar Surface Area: 154 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 419.7±3.0 cm3

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