- InChI
- InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3
- InChI Key
- PAMIQIKDUOTOBW-UHFFFAOYSA-N
- Formula
- C6H13N
- SMILES
- CN1CCCCC1
- Molecular Weight1
- 99.17
- CAS
- 626-67-5
- Other Names
-
- 1-Methylpiperidine
- 1-pipecoline
- N-Methylpiperidine
- UN 2399
- pipecoline
- piperidine, N-methyl-
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : 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).
- 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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : 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 | 0.2559 | Relay (1.0) Calculated Property | |
| PAff | 971.10 | kJ/mol | NIST |
| BasG | 940.10 | kJ/mol | NIST |
| ΔfG° | 137.02 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -49.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | [36.70; 36.80] | kJ/mol |
|
| ΔvapH° | 36.80 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 36.80 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 36.70 ± 0.10 | kJ/mol | NIST |
| IE | [7.74; 8.35] | eV |
|
| IE | 7.80 ± 0.05 | eV | NIST |
| IE | 7.74 ± 0.05 | eV | NIST |
| IE | 8.35 | eV | NIST |
| IE | 8.29 | eV | NIST |
| IE | 8.29 ± 0.02 | eV | NIST |
| IE | 8.29 ± 0.05 | eV | NIST |
| IE | 8.29 ± 0.02 | eV | NIST |
| log10WS | 0.23 | Aq. Solubility Prediction | |
| logPoct/wat | 1.102 | Crippen Calculated Property | |
| McVol | 94.520 | ml/mol | McGowan Calculated Property |
| Pc | 3939.73 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [749.00; 779.00] |
|
|
| Inp | 766.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 779.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 749.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 763.00 | NIST | |
| I | [928.00; 1020.00] |
|
|
| I | 928.00 | NIST | |
| I | 934.00 | NIST | |
| I | 957.00 | NIST | |
| I | 967.00 | NIST | |
| I | 986.00 | NIST | |
| I | 981.00 | NIST | |
| I | 1003.00 | NIST | |
| I | 999.00 | NIST | |
| I | 959.00 | NIST | |
| I | 1020.00 | NIST | |
| Tboil | [378.85; 390.15] | K |
|
| Tboil | 380.20 | K | NIST |
| Tboil | 378.85 ± 0.20 | K | NIST |
| Tboil | 379.05 ± 0.50 | K | NIST |
| Tboil | 379.65 ± 0.50 | K | NIST |
| Tboil | 390.15 ± 3.00 | K | NIST |
| Tc | 581.31 | K | Relay (1.0) Calculated Property |
| Tfus | 216.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.338 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [276.62; 406.12] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42259e+01 | |||
| Coefficient B | -3.20286e+03 | |||
| Coefficient C | -4.68320e+01 | |||
| Temperature range, min. | 276.62 | |||
| Temperature range, max. | 406.12 | |||
| Pvap | 1.33 | kPa | 276.62 | Calculated Property |
| Pvap | 3.03 | kPa | 291.01 | Calculated Property |
| Pvap | 6.29 | kPa | 305.40 | Calculated Property |
| Pvap | 12.08 | kPa | 319.79 | Calculated Property |
| Pvap | 21.75 | kPa | 334.18 | Calculated Property |
| Pvap | 37.00 | kPa | 348.56 | Calculated Property |
| Pvap | 59.99 | kPa | 362.95 | Calculated Property |
| Pvap | 93.25 | kPa | 377.34 | Calculated Property |
| Pvap | 139.71 | kPa | 391.73 | Calculated Property |
| Pvap | 202.64 | kPa | 406.12 | Calculated Property |
Similar Compounds
Find more compounds similar to Piperidine, 1-methyl-.
Mixtures
- Piperidine, 1-methyl- + Water
- Piperidine, 1-methyl- + Methyl Alcohol
- Carbon dioxide + Piperidine, 1-methyl- + Water
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
- Temperatures of liquid-liquid separation and excess molar volumes of {N-methylpiperidine-water} and {2-methylpiperidine-water} systems
- Liquid-liquid phase separation of {amine e H2O e CO2} systems: New methods for key data
- Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
- Determination of Infinite Dilution Partial Molar Excess Enthalpies and Volumes for Some Ionic Liquid Precursors in Water and Methanol Using Tandem Flow Mixing Calorimetry and Vibrating-Tube Densimetry
- Excess Molar Enthalpies and Heat Capacities of {2-Methylpiperidine Water} and {N-Methylpiperidine Water} Systems of Low to Moderate Amine Compositions
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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