ChemSpider 2D Image | Dimethyl 5,5'-[methylenebis(4,1-phenylenenitrilomethylylidene)]bis(2,4-dimethyl-1H-pyrrole-3-carboxylate) | C31H32N4O4

Dimethyl 5,5'-[methylenebis(4,1-phenylenenitrilomethylylidene)]bis(2,4-dimethyl-1H-pyrrole-3-carboxylate)

  • Molecular FormulaC31H32N4O4
  • Average mass524.610 Da
  • Monoisotopic mass524.242371 Da
  • ChemSpider ID35395049

More details:

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

1H-Pyrrole-3-carboxylic acid, 5,5'-[methylenebis(4,1-phenylenenitrilomethylidyne)]bis[2,4-dimethyl-, dimethyl ester [ACD/Index Name]
5,5'-[Méthylènebis(4,1-phénylènenitrilométhylylidène)]bis(2,4-diméthyl-1H-pyrrole-3-carboxylate) de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5,5'-[methylenebis(4,1-phenylenenitrilomethylylidene)]bis(2,4-dimethyl-1H-pyrrole-3-carboxylate) [ACD/IUPAC Name]
Dimethyl-5,5'-[methylenbis(4,1-phenylennitrilomethylyliden)]bis(2,4-dimethyl-1H-pyrrol-3-carboxylat) [German] [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: 774.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 422.4±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 150.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 10532.96
ACD/KOC (pH 5.5): 26062.13
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 10955.82
ACD/KOC (pH 7.4): 27108.41
Polar Surface Area: 109 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 42.1±7.0 dyne/cm
Molar Volume: 438.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement