- InChI
- InChI=1S/C8H17N/c1-3-8-5-4-7(2)9-6-8/h7-9H,3-6H2,1-2H3
- InChI Key
- XOFNHZHCGBPVGJ-UHFFFAOYSA-N
- Formula
- C8H17N
- SMILES
- CCC1CCC(C)NC1
- Molecular Weight1
- 127.23
- CAS
- 104-89-2
- Other Names
-
- 2-Methyl-5-ethylpiperidine
- 2-Pipecoline, 5-ethyl-
- 3-Ethyl-6-methylpiperidine
- 5-Ethyl-2-methylpiperidine
- 5-Ethyl-2-pipecoline
- Copellidin
- Copellidine
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 18.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.63 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.785 | Crippen Calculated Property | |
| McVol | 122.700 | ml/mol | McGowan Calculated Property |
| Tboil | 434.43 | K | Relay (1.0) Calculated Property |
| Tfus | 258.30 ± 0.60 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [156.45; 455.01] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.71290e+01 | |||
| Coefficient B | 8.46040e-01 | |||
| Coefficient C | -3.76400e-04 | |||
| Coefficient D | 3.25000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 156.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 206.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 252.11 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 293.35 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 330.34 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 363.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 391.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 416.78 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 437.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 455.01 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [324.65; 454.25] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.54268e+01 | |||
| Coefficient B | -3.95062e+03 | |||
| Coefficient C | -6.36950e+01 | |||
| Temperature range, min. | 324.65 | |||
| Temperature range, max. | 454.25 | |||
| Pvap | 1.33 | kPa | 324.65 | Calculated Property |
| Pvap | 2.94 | kPa | 339.05 | Calculated Property |
| Pvap | 6.00 | kPa | 353.45 | Calculated Property |
| Pvap | 11.45 | kPa | 367.85 | Calculated Property |
| Pvap | 20.60 | kPa | 382.25 | Calculated Property |
| Pvap | 35.22 | kPa | 396.65 | Calculated Property |
| Pvap | 57.59 | kPa | 411.05 | Calculated Property |
| Pvap | 90.57 | kPa | 425.45 | Calculated Property |
| Pvap | 137.58 | kPa | 439.85 | Calculated Property |
| Pvap | 202.64 | kPa | 454.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Piperidine, 5-ethyl-2-methyl-.
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
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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