- InChI
- InChI=1S/C8H11NO2/c1-9-5-3-4-7(9)6-8(10)11-2/h3-5H,6H2,1-2H3
- InChI Key
- CGYVDYLHQYNGFC-UHFFFAOYSA-N
- Formula
- C8H11NO2
- SMILES
- COC(=O)Cc1cccn1C
- Molecular Weight1
- 153.18
- CAS
- 51856-79-2
- Other Names
-
- Methyl 1-methyl-1H-pyrrole-2-acetate
- Methyl 1-methylpyrrole-2-acetate
- Methyl 1-methyl-2-pyrroleacetate
- N-Methylpyrrole-2-acetic acid methyl ester
- methyl 1-methylpyrrol-2-acetate
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4970 | Relay (1.0) Calculated Property | |
| ΔfG° | -64.58 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -303.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 68.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.741 | Crippen Calculated Property | |
| McVol | 121.540 | ml/mol | McGowan Calculated Property |
| Pc | 3165.61 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 490.22 | K | Relay (1.0) Calculated Property |
| Tc | 713.83 | K | Relay (1.0) Calculated Property |
| Tfus | 277.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.456 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 355.70 | K | 0.30 | NIST |
Similar Compounds
Find more compounds similar to 1H-Pyrrole-2-acetic acid, 1-methyl-, methyl 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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