ChemSpider 2D Image | Ethyl 4-dodecyl-3,5-dimethyl-1H-pyrrole-2-carboxylate | C21H37NO2

Ethyl 4-dodecyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC21H37NO2
  • Average mass335.524 Da
  • Monoisotopic mass335.282440 Da
  • ChemSpider ID21134756

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-dodecyl-3,5-dimethyl-, ethyl ester [ACD/Index Name]
4-Dodécyl-3,5-diméthyl-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-dodecyl-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-4-dodecyl-3,5-dimethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
25573-78-8 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 450.6±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 226.3±25.4 °C
Index of Refraction: 1.494
Molar Refractivity: 102.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 8.95
ACD/LogD (pH 5.5): 8.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 940144.50
ACD/LogD (pH 7.4): 8.45
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 945767.31
Polar Surface Area: 42 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 352.6±3.0 cm3

Click to predict properties on the Chemicalize site


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