ChemSpider 2D Image | Ethyl 5-cyano-1H-pyrrole-2-carboxylate | C8H8N2O2

Ethyl 5-cyano-1H-pyrrole-2-carboxylate

  • Molecular FormulaC8H8N2O2
  • Average mass164.161 Da
  • Monoisotopic mass164.058578 Da
  • ChemSpider ID21131224

More details:

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

1H-Pyrrole-2-carboxylic acid, 5-cyano-, ethyl ester [ACD/Index Name]
21635-99-4 [RN]
5-Cyano-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-cyano-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-5-cyan-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
1H-Pyrrole-2-carboxylic acid, 5-cyano-, ethyl ester (9CI)
Ethyl 5-cyanopyrrole-2-carboxylate
MFCD12911930

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

Density: 1.2±0.1 g/cm3
Boiling Point: 328.9±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.1±3.0 kJ/mol
Flash Point: 152.7±23.7 °C
Index of Refraction: 1.532
Molar Refractivity: 41.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.78
ACD/KOC (pH 5.5): 151.21
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.78
ACD/KOC (pH 7.4): 151.21
Polar Surface Area: 66 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 132.3±5.0 cm3

Click to predict properties on the Chemicalize site


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