Chemical Properties of 1H-Pyrrole-2-carboxylic acid, 4,5-dimethyl-, ethyl ester (CAS 2199-45-3)

1H-Pyrrole-2-carboxylic acid, 4,5-dimethyl-, ethyl ester

InChI
InChI=1S/C9H13NO2/c1-4-12-9(11)8-5-6(2)7(3)10-8/h5,10H,4H2,1-3H3
InChI Key
NJUXFNQDUIJYPO-UHFFFAOYSA-N
Formula
C9H13NO2
SMILES
CCOC(=O)c1cc(C)c(C)[nH]1
Molecular Weight1
167.21
CAS
2199-45-3
Other Names
  • 4,5-Dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
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Physical Properties

Property Value Unit Source
ω 0.5767 Relay (1.0) Calculated Property
ΔcH°solid -4950.10 ± 5.00 kJ/mol NIST
ΔfH°gas -382.10 kJ/mol Relay (1.0) Calculated Property
ΔfH°solid -449.40 ± 5.00 kJ/mol NIST
ΔvapH° 72.94 kJ/mol Relay (1.0) Calculated Property
IE 8.00 eV Relay (1.0) Calculated Property
log10WS -2.57 Relay (1.0) Calculated Property
logPoct/wat 1.326 Crippen Calculated Property
McVol 135.630 ml/mol McGowan Calculated Property
Pc 2771.64 kPa Relay (1.0-beta) Calculated Property
Tboil 534.13 K Relay (1.0) Calculated Property
Tc 742.11 K Relay (1.0) Calculated Property
Tfus 367.28 K Relay (1.0) Calculated Property

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Similar Compounds

1H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-, ethyl ester. Ethyl 3,4,5-trimethylpyrrole-2-carboxylate. 3,5-dimethyl-4-propyl-1H-pyrrole-2-carboxylic acid ethyl ester. 2,4-Dimethyl-1H-pyrrole-5-carboxylic acid methyl ester. 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, diethyl ester. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. narwedine. (-)-2-Aminobutan-1-ol, ferroceneboronate derivative. Dimetindene M (nor, OH), acetylated. Beclomethasone, tetra-TMS. RTI 23. Dimetindene M (nor), acetylated. Lycoramine. 1,3,5(10)-Oestratriene-2-methoxy-3,16«alpha»,17«beta»-triol, 3-TBDMS-16,17-PFP. 1-Methyl-4-piperidyl cyclopentylphenylglycolate.

Find more compounds similar to 1H-Pyrrole-2-carboxylic acid, 4,5-dimethyl-, ethyl ester.

Sources

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