- InChI
- InChI=1S/C8H17N/c1-2-3-8-4-6-9-7-5-8/h8-9H,2-7H2,1H3
- InChI Key
- RQGBFVLTFYRYKB-UHFFFAOYSA-N
- Formula
- C8H17N
- SMILES
- CCCC1CCNCC1
- Molecular Weight1
- 127.23
- CAS
- 22398-09-0
- Other Names
-
- 4-Propylpiperidine
- 4-n-Propylpiperidine
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-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 | 0.3662 | Relay (1.0) Calculated Property | |
| ΔfG° | 128.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -110.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.786 | Crippen Calculated Property | |
| McVol | 122.700 | ml/mol | McGowan Calculated Property |
| Pc | 3243.03 | kPa | Joback Calculated Property |
| Inp | [1004.00; 1004.00] |
|
|
| Inp | 1004.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Tboil | 449.96 | K | Relay (1.0) Calculated Property |
| Tc | 649.09 | K | Relay (1.0) Calculated Property |
| Tfus | 238.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.428 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.18; 448.35] | 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 | -5.30680e+01 | |||
| Coefficient B | 8.72520e-01 | |||
| Coefficient C | -4.31800e-04 | |||
| Coefficient D | 6.07000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 154.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 204.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 249.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 290.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 326.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 358.51 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 386.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 410.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 431.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 448.35 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [331.82; 451.83] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.64387e+01 | |||
| Coefficient B | -4.29307e+03 | |||
| Coefficient C | -6.60140e+01 | |||
| Temperature range, min. | 331.82 | |||
| Temperature range, max. | 451.83 | |||
| Pvap | 1.33 | kPa | 331.82 | Calculated Property |
| Pvap | 2.88 | kPa | 345.15 | Calculated Property |
| Pvap | 5.81 | kPa | 358.49 | Calculated Property |
| Pvap | 11.03 | kPa | 371.82 | Calculated Property |
| Pvap | 19.82 | kPa | 385.16 | Calculated Property |
| Pvap | 34.00 | kPa | 398.49 | Calculated Property |
| Pvap | 55.94 | kPa | 411.83 | Calculated Property |
| Pvap | 88.70 | kPa | 425.16 | Calculated Property |
| Pvap | 136.06 | kPa | 438.50 | Calculated Property |
| Pvap | 202.65 | kPa | 451.83 | Calculated Property |
Similar Compounds
Find more compounds similar to Piperidine, 4-propyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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