- InChI
- InChI=1S/C9H19N/c1-2-3-7-10-8-5-4-6-9-10/h2-9H2,1H3
- InChI Key
- AXWLKJWVMMAXBD-UHFFFAOYSA-N
- Formula
- C9H19N
- SMILES
- CCCCN1CCCCC1
- Molecular Weight1
- 141.25
- CAS
- 4945-48-6
- Other Names
-
- 1-Butylpiperidine
- N-Butylpiperidine
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -6085.20 ± 8.50 | kJ/mol | NIST |
| ΔfH°liquid | -171.80 ± 8.50 | kJ/mol | NIST |
| ΔvapH° | 48.90 ± 0.20 | kJ/mol | NIST |
| log10WS | -2.05 | Crippen Calculated Property | |
| logPoct/wat | 2.272 | Crippen Calculated Property | |
| McVol | 136.790 | ml/mol | McGowan Calculated Property |
| Inp | [1025.00; 1028.00] |
|
|
| Inp | 1025.00 | NIST | |
| Inp | 1026.00 | NIST | |
| Inp | 1028.00 | NIST | |
| Inp | 1025.00 | NIST | |
| I | [1147.00; 1150.00] |
|
|
| I | 1150.00 | NIST | |
| I | 1147.00 | NIST | |
| Tboil | [442.65; 450.15] | K |
|
| Tboil | 449.20 | K | NIST |
| Tboil | 450.15 ± 2.00 | K | NIST |
| Tboil | 449.15 ± 2.00 | K | NIST |
| Tboil | 448.95 ± 0.40 | K | NIST |
| Tboil | 445.15 ± 5.00 | K | NIST |
| Tboil | 442.65 ± 3.00 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 49.20 ± 0.20 | kJ/mol | 294.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.21; 202.64] | kPa | [301.15; 476.73] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45266e+01 | |||
| Coefficient B | -3.78480e+03 | |||
| Coefficient C | -6.60140e+01 | |||
| Temperature range, min. | 301.15 | |||
| Temperature range, max. | 476.73 | |||
| Pvap | 0.21 | kPa | 301.15 | Calculated Property |
| Pvap | 0.71 | kPa | 320.66 | Calculated Property |
| Pvap | 2.06 | kPa | 340.17 | Calculated Property |
| Pvap | 5.15 | kPa | 359.68 | Calculated Property |
| Pvap | 11.49 | kPa | 379.19 | Calculated Property |
| Pvap | 23.33 | kPa | 398.69 | Calculated Property |
| Pvap | 43.82 | kPa | 418.20 | Calculated Property |
| Pvap | 77.02 | kPa | 437.71 | Calculated Property |
| Pvap | 127.98 | kPa | 457.22 | Calculated Property |
| Pvap | 202.64 | kPa | 476.73 | Calculated Property |
Similar Compounds
Find more compounds similar to Piperidine, 1-butyl-.
Sources
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