- InChI
- InChI=1S/C8H17N/c1-8(2)7-9-5-3-4-6-9/h8H,3-7H2,1-2H3
- InChI Key
- KOFIDSXHWGFEMO-UHFFFAOYSA-N
- Formula
- C8H17N
- SMILES
- CC(C)CN1CCCC1
- Molecular Weight1
- 127.23
- CAS
- 39198-81-7
- Other Names
-
- 1-(2'-Methylpropyl)pyrrolidine
- Pyrrolidine,1-(2-methylpropyl)-
- 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).
- 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 | 0.3679 | Relay (1.0) Calculated Property | |
| ΔfG° | 115.82 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -100.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 41.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 ± 0.03 | eV | NIST |
| log10WS | -0.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.738 | Crippen Calculated Property | |
| McVol | 122.700 | ml/mol | McGowan Calculated Property |
| Pc | 2833.74 | kPa | Relay (1.0-beta) Calculated Property |
| I | [975.00; 975.00] |
|
|
| I | 975.00 | NIST | |
| I | 975.00 | NIST | |
| I | 975.00 | NIST | |
| Tboil | 410.30 | K | Relay (1.0) Calculated Property |
| Tc | 600.61 | K | Relay (1.0) Calculated Property |
| Tfus | 190.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.451 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-(2-Methylpropyl)pyrrolidine.
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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