- InChI
- InChI=1S/C7H9NO2/c1-8-5-3-4-6(8)7(9)10-2/h3-5H,1-2H3
- InChI Key
- APHVGKYWHWFAQV-UHFFFAOYSA-N
- Formula
- C7H9NO2
- SMILES
- COC(=O)c1cccn1C
- Molecular Weight1
- 139.15
- CAS
- 37619-24-2
- Other Names
-
- 2-(methoxycarbonyl)-1-methylpyrrole
- 2-methoxycarbonyl-N-methylpyrrole
- methyl 1-methyl-2-pyrrolecarboxylate
- methyl N-methylpyrrole-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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.4979 | Relay (1.0) Calculated Property | |
| ΔfG° | -70.91 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -268.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 61.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.812 | Crippen Calculated Property | |
| McVol | 107.450 | ml/mol | McGowan Calculated Property |
| Pc | 3511.94 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 484.83 | K | Relay (1.0) Calculated Property |
| Tc | 692.22 | K | Relay (1.0) Calculated Property |
| Tfus | 276.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.407 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 59.20 | kJ/mol | 298.15 | Energetics and molecular structure of alkyl 1-methylpyrrolecarboxylates (alkyl = methyl or ethyl) |
Similar Compounds
Find more compounds similar to Methyl 1-methylpyrrole-2-carboxylate.
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
- Energetics and molecular structure of alkyl 1-methylpyrrolecarboxylates (alkyl = methyl or ethyl)
- McGowan Method
- NIST Webbook
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