- InChI
- InChI=1S/C8H17N/c1-2-6-9-7-4-3-5-8-9/h2-8H2,1H3
- InChI Key
- VTDIWMPYBAVEDY-UHFFFAOYSA-N
- Formula
- C8H17N
- SMILES
- CCCN1CCCCC1
- Molecular Weight1
- 127.23
- CAS
- 5470-02-0
- Other Names
-
- N-Propylpiperidine
- Piperidine, 1-propyl-
- Piperidine, N-propyl-
- Propylpiperidine
- 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 | -5430.60 ± 3.30 | kJ/mol | NIST |
| ΔfH°liquid | -147.00 ± 3.30 | kJ/mol | NIST |
| ΔvapH° | 44.90 ± 0.40 | kJ/mol | NIST |
| log10WS | -1.64 | Crippen Calculated Property | |
| logPoct/wat | 1.882 | Crippen Calculated Property | |
| McVol | 122.700 | ml/mol | McGowan Calculated Property |
| Inp | [930.00; 932.00] |
|
|
| Inp | 930.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 930.00 | NIST | |
| Inp | 930.00 | NIST | |
| Inp | 930.00 | NIST | |
| I | [1054.00; 1057.00] |
|
|
| I | 1057.00 | NIST | |
| I | 1054.00 | NIST | |
| Tboil | 425.25 ± 0.30 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 45.20 ± 0.40 | kJ/mol | 294.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [312.22; 453.44] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43127e+01 | |||
| Coefficient B | -3.54858e+03 | |||
| Coefficient C | -5.92030e+01 | |||
| Temperature range, min. | 312.22 | |||
| Temperature range, max. | 453.44 | |||
| Pvap | 1.33 | kPa | 312.22 | Calculated Property |
| Pvap | 3.02 | kPa | 327.91 | Calculated Property |
| Pvap | 6.27 | kPa | 343.60 | Calculated Property |
| Pvap | 12.03 | kPa | 359.29 | Calculated Property |
| Pvap | 21.65 | kPa | 374.98 | Calculated Property |
| Pvap | 36.86 | kPa | 390.68 | Calculated Property |
| Pvap | 59.80 | kPa | 406.37 | Calculated Property |
| Pvap | 93.04 | kPa | 422.06 | Calculated Property |
| Pvap | 139.55 | kPa | 437.75 | Calculated Property |
| Pvap | 202.66 | kPa | 453.44 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propylpiperidine.
Sources
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