ChemSpider 2D Image | Dimethyl 1H-pyrrole-2,5-dicarboxylate | C8H9NO4

Dimethyl 1H-pyrrole-2,5-dicarboxylate

  • Molecular FormulaC8H9NO4
  • Average mass183.161 Da
  • Monoisotopic mass183.053162 Da
  • ChemSpider ID23511527

More details:

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

1757-29-5 [RN]
1H-Pyrrole-2,5-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-2,5-dicarboxylic acid, 2,5-dimethyl ester
1H-Pyrrole-2,5-dicarboxylic acid, dimethyl ester [ACD/Index Name]
Dimethyl 1H-pyrrole-2,5-dicarboxylate [ACD/IUPAC Name]
Dimethyl-1H-pyrrol-2,5-dicarboxylat [German] [ACD/IUPAC Name]
1H-Pyrrole-2,5-dicarboxylic acid 2,5-dimethyl ester
2,5-Dimethyl 1H-pyrrole-2,5-dicarboxylate
MFCD24549271 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 310.7±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.2±3.0 kJ/mol
Flash Point: 141.7±22.3 °C
Index of Refraction: 1.528
Molar Refractivity: 44.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.38
ACD/KOC (pH 5.5): 198.40
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.38
ACD/KOC (pH 7.4): 198.40
Polar Surface Area: 68 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 143.5±3.0 cm3

Click to predict properties on the Chemicalize site


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