- InChI
- InChI=1S/C7H15N/c1-2-5-8-6-3-4-7-8/h2-7H2,1H3
- InChI Key
- HLNRRPIYRBBHSQ-UHFFFAOYSA-N
- Formula
- C7H15N
- SMILES
- CCCN1CCCC1
- Molecular Weight1
- 113.20
- CAS
- 7335-07-1
- Other Names
-
- N-propyl-Tetrahydropyrrole
- 1-Propyl-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 | 0.3333 | Relay (1.0) Calculated Property | |
| ΔfG° | 122.23 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -64.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 40.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.492 | Crippen Calculated Property | |
| McVol | 108.610 | ml/mol | McGowan Calculated Property |
| Pc | 3155.85 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [838.00; 882.00] |
|
|
| Inp | 882.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 847.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 882.00 | NIST | |
| I | [987.00; 1007.00] |
|
|
| I | 1007.00 | NIST | |
| I | 987.00 | NIST | |
| Tboil | 395.40 | K | Relay (1.0) Calculated Property |
| Tc | 587.05 | K | Relay (1.0) Calculated Property |
| Tfus | 177.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.400 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrrolidine, 1-propyl-.
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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