- InChI
- InChI=1S/C8H17N/c1-2-3-6-9-7-4-5-8-9/h2-8H2,1H3
- InChI Key
- JSHASCFKOSDFHY-UHFFFAOYSA-N
- Formula
- C8H17N
- SMILES
- CCCCN1CCCC1
- Molecular Weight1
- 127.23
- CAS
- 767-10-2
- Other Names
-
- Pyrrolidine, 1-butyl-
- n-Butylpyrrolidine
- N-bButyl-tetrahydropyrrole
- N-butyl-Tetrahydropyrrole
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboilr : Boiling point at reduced pressure (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -1.64 | Crippen Calculated Property | |
| logPoct/wat | 1.882 | Crippen Calculated Property | |
| McVol | 122.700 | ml/mol | McGowan Calculated Property |
| Inp | [939.00; 954.00] |
|
|
| Inp | 954.00 | NIST | |
| Inp | 944.00 | NIST | |
| Inp | 939.00 | NIST | |
| Inp | 939.00 | NIST | |
| Inp | 954.00 | NIST | |
| I | [1082.00; 1102.00] |
|
|
| I | 1102.00 | NIST | |
| I | 1082.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 429.20 | K | 101.00 | NIST |
Similar Compounds
Find more compounds similar to 1-Butylpyrrolidine.
Sources
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