- InChI
- InChI=1S/C8H17N/c1-6-4-7(2)9-8(3)5-6/h6-9H,4-5H2,1-3H3
- InChI Key
- GELXVDNNZSIRQA-UHFFFAOYSA-N
- Formula
- C8H17N
- SMILES
- CC1CC(C)NC(C)C1
- Molecular Weight1
- 127.23
- CAS
- 21974-48-1
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 113.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -157.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.97 | kJ/mol | Joback Calculated Property |
| log10WS | -2.24 | Crippen Calculated Property | |
| logPoct/wat | 1.783 | Crippen Calculated Property | |
| McVol | 122.700 | ml/mol | McGowan Calculated Property |
| Pc | 3012.33 | kPa | Joback Calculated Property |
| Tboil | 441.20 | K | Joback Calculated Property |
| Tc | 649.34 | K | Joback Calculated Property |
| Tfus | 283.85 | K | Joback Calculated Property |
| Vc | 0.452 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.28; 356.81] | J/mol×K | [441.20; 649.34] | 
|
| Cp,gas | 258.28 | J/mol×K | 441.20 | Joback Calculated Property |
| Cp,gas | 276.60 | J/mol×K | 475.89 | Joback Calculated Property |
| Cp,gas | 294.15 | J/mol×K | 510.58 | Joback Calculated Property |
| Cp,gas | 310.95 | J/mol×K | 545.27 | Joback Calculated Property |
| Cp,gas | 326.99 | J/mol×K | 579.96 | Joback Calculated Property |
| Cp,gas | 342.28 | J/mol×K | 614.65 | Joback Calculated Property |
| Cp,gas | 356.81 | J/mol×K | 649.34 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.16; 202.65] | kPa | [272.15; 460.81] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.34660e+01 | |||
| Coefficient B | -3.28964e+03 | |||
| Coefficient C | -5.73960e+01 | |||
| Temperature range, min. | 272.15 | |||
| Temperature range, max. | 460.81 | |||
| Pvap | 0.16 | kPa | 272.15 | Calculated Property |
| Pvap | 0.61 | kPa | 293.11 | Calculated Property |
| Pvap | 1.92 | kPa | 314.07 | Calculated Property |
| Pvap | 5.04 | kPa | 335.04 | Calculated Property |
| Pvap | 11.58 | kPa | 356.00 | Calculated Property |
| Pvap | 23.85 | kPa | 376.96 | Calculated Property |
| Pvap | 44.95 | kPa | 397.92 | Calculated Property |
| Pvap | 78.71 | kPa | 418.89 | Calculated Property |
| Pvap | 129.61 | kPa | 439.85 | Calculated Property |
| Pvap | 202.65 | kPa | 460.81 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Trimethylpiperidine.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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