Chemical Properties of 2,4-Dimethyl-1H-pyrrole-5-carboxylic acid methyl ester

2,4-Dimethyl-1H-pyrrole-5-carboxylic acid methyl ester

InChI
InChI=1S/C8H11NO2/c1-5-4-6(2)9-7(5)8(10)11-3/h4,9H,1-3H3
InChI Key
NNDPBEVKFHCFGQ-UHFFFAOYSA-N
Formula
C8H11NO2
SMILES
COC(=O)c1[nH]c(C)cc1C
Molecular Weight1
153.18
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 -337.35 kJ/mol Relay (1.0) Calculated Property
IE 8.03 eV Relay (1.0) Calculated Property
log10WS -2.07 Relay (1.0) Calculated Property
logPoct/wat 0.936 Crippen Calculated Property
McVol 121.540 ml/mol McGowan Calculated Property
Tboil 512.83 K Relay (1.0) Calculated Property
Tfus 346.40 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

1H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-, ethyl ester. 1H-Pyrrole-2-carboxylic acid, 4,5-dimethyl-, ethyl ester. Ethyl 3,4,5-trimethylpyrrole-2-carboxylate. 1H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-4-nitro-, ethyl ester. 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, diethyl ester. 3,5-dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester. 11-Hydroxy-«DELTA»9-tetrahydrocannabinol. Etodolac, methylated. etodolac. Hispaglabridin A. Uridine, 2',5'-bis-O-acetyl, 3'-O-TBDMS. Uridine, 2',5'-bis-O-TBDMS. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TFA. 5-Methyluridine, tris(trifluoroacetate). Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl.

Find more compounds similar to 2,4-Dimethyl-1H-pyrrole-5-carboxylic acid methyl 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.