- InChI
- InChI=1S/C6H13N/c1-2-7-5-3-4-6-7/h2-6H2,1H3
- InChI Key
- ONQBOTKLCMXPOF-UHFFFAOYSA-N
- Formula
- C6H13N
- SMILES
- CCN1CCCC1
- Molecular Weight1
- 99.17
- CAS
- 7335-06-0
- Other Names
-
- N-ethyl-Tetrahydropyrrole
- 1-Ethyl-pyrrolidine
- 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.
- I : 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 | 0.2824 | Relay (1.0) Calculated Property | |
| ΔfG° | 129.82 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -45.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 36.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.102 | Crippen Calculated Property | |
| McVol | 94.520 | ml/mol | McGowan Calculated Property |
| Pc | 3615.81 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [750.00; 774.00] |
|
|
| Inp | 751.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 753.00 | NIST | |
| Inp | 774.00 | NIST | |
| I | [906.00; 930.00] |
|
|
| I | 930.00 | NIST | |
| I | 930.00 | NIST | |
| I | 906.00 | NIST | |
| Tboil | 372.69 | K | Relay (1.0) Calculated Property |
| Tc | 568.54 | K | Relay (1.0) Calculated Property |
| Tfus | 172.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.340 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrrolidine, 1-ethyl-.
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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