- InChI
- InChI=1S/C7H11N/c1-3-7-4-6(2)8-5-7/h4-5,8H,3H2,1-2H3
- InChI Key
- HWXJSNSZAOSLAS-UHFFFAOYSA-N
- Formula
- C7H11N
- SMILES
- CCc1c[nH]c(C)c1
- Molecular Weight1
- 109.17
- CAS
- 5690-96-0
- Other Names
-
- 4-Ethyl-2-methylpyrrole
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.3861 | Relay (1.0) Calculated Property | |
| ΔfG° | 135.24 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -5.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 56.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.404 | Crippen Calculated Property | |
| McVol | 100.010 | ml/mol | McGowan Calculated Property |
| Pc | 3709.41 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [902.00; 951.00] |
|
|
| Inp | 951.00 | NIST | |
| Inp | 902.00 | NIST | |
| Tboil | 458.68 | K | Relay (1.0) Calculated Property |
| Tc | 654.59 | K | Relay (1.0) Calculated Property |
| Tfus | 240.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.376 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrrole, 4-ethyl-2-methyl-.
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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