- InChI
- InChI=1S/C10H15NO2/c1-5-13-10(12)9-7(3)6(2)8(4)11-9/h11H,5H2,1-4H3
- InChI Key
- WBOGFZDTCIQHSX-UHFFFAOYSA-N
- Formula
- C10H15NO2
- SMILES
- CCOC(=O)c1[nH]c(C)c(C)c1C
- Molecular Weight1
- 181.23
- CAS
- 2199-46-4
- Other Names
-
- Ethyl 3,4,5-trimethylpyrrole-2-carboxylate
- Pyrrole-2-carboxylic acid, 3,4,5-trimethyl-, ethyl ester
- Ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5906 | Relay (1.0) Calculated Property | |
| ΔfG° | -132.23 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -408.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 74.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.71 | eV | NIST |
| log10WS | -2.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.635 | Crippen Calculated Property | |
| McVol | 149.720 | ml/mol | McGowan Calculated Property |
| Pc | 2483.51 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 541.64 | K | Relay (1.0) Calculated Property |
| Tc | 760.52 | K | Relay (1.0) Calculated Property |
| Tfus | 377.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.558 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Pyrrole-2-carboxylic acid, 3,4,5-trimethyl, ethyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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