Chemical Properties of 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, diethyl ester

1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, diethyl ester

InChI
InChI=1S/C12H17NO4/c1-5-16-11(14)9-7(3)10(13-8(9)4)12(15)17-6-2/h13H,5-6H2,1-4H3
InChI Key
XSBSXJAYEPDGSF-UHFFFAOYSA-N
Formula
C12H17NO4
SMILES
CCOC(=O)c1[nH]c(C)c(C(=O)OCC)c1C
Molecular Weight1
239.27
Other Names
  • Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, diethyl ester
  • Diethyl 3,5-dimethylpyrrole-2,4-dicarboxylate
  • Knorr's pyrrole
  • 2,4-Dimethyl-3,5-dicarbethoxypyrrole
  • 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
  • 2,4-Dimethyl-3,5-diethoxycarbonyl-pyrrole
  • Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate
  • Pyrrole-3,5-bis(carboxylic acid), 2,4-dimethyl-, diethyl ester
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfH°gas -746.17 kJ/mol Relay (1.0) Calculated Property
IE 8.05 eV Relay (1.0) Calculated Property
log10WS -3.06 Relay (1.0) Calculated Property
logPoct/wat 1.503 Crippen Calculated Property
McVol 185.340 ml/mol McGowan Calculated Property
Tboil 580.52 K Relay (1.0) Calculated Property
Tfus 342.79 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Ethyl 3,4,5-trimethylpyrrole-2-carboxylate. 3,5-dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester. Pyrrole-3-carboxylic acid, 2,4,5-trimethyl-, ethyl ester. 1H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-4-nitro-, ethyl ester. Dimetindene M (nor, OH), acetylated. Colchicine. Colchicine, (+)-. Colchicine. 1,3,5(10)-Oestratriene-2-methoxy-3,16«alpha»,17«beta»-triol, 3-TBDMS-16,17-PFP. Oxycodone. Oxycodone tms derivative. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. guanosine, TMS. 2'-Deoxyguanosine, N-trimethylsilyl-, tris(trimethylsilyl) ether. Naloxone.

Find more compounds similar to 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, diethyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.