- InChI
- InChI=1S/C6H13N/c1-6-4-2-3-5-7-6/h6-7H,2-5H2,1H3
- InChI Key
- NNWUEBIEOFQMSS-UHFFFAOYSA-N
- Formula
- C6H13N
- SMILES
- CC1CCCCN1
- Molecular Weight1
- 99.17
- CAS
- 109-05-7
- Other Names
-
- .alpha.-methylpiperidine
- 2-PIPECOLINE
- ALPHA-METHYLPIPERIDINE
- Pipecoline, «alpha»
- Pipecoline, «alpha»
- Piperidine, 2-methyl-
- Pipicoline
- «alpha»-Methylpiperidine
- «alpha»-Pipecolin
- «alpha»-Pipecoline
- «alpha»-Methylpiperidine
- «alpha»-Pipecolin
- «alpha»-Pipecoline
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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.
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 0.2690 | KDB | |
| ΔcH°liquid | -4094.00 ± 1.00 | kJ/mol | NIST |
| ΔfG° | 111.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -84.50 ± 1.10 | kJ/mol | NIST |
| ΔfH°liquid | -124.90 ± 1.10 | kJ/mol | NIST |
| ΔfusH° | 12.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [40.40; 40.50] | kJ/mol |
|
| ΔvapH° | 40.50 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 40.40 | kJ/mol | NIST |
| IE | [7.76; 8.04] | eV |
|
| IE | 7.90 ± 0.10 | eV | NIST |
| IE | 8.04 ± 0.05 | eV | NIST |
| IE | 7.76 ± 0.05 | eV | NIST |
| log10WS | -1.53 | Crippen Calculated Property | |
| logPoct/wat | 1.148 | Crippen Calculated Property | |
| McVol | 94.520 | ml/mol | McGowan Calculated Property |
| Pc | 3800.00 | kPa | KDB |
| Inp | [793.00; 810.00] |
|
|
| Inp | 810.00 | NIST | |
| Inp | 793.00 | NIST | |
| Inp | 793.00 | NIST | |
| Inp | 810.00 | NIST | |
| I | [1017.00; 1027.00] |
|
|
| I | 1027.00 | NIST | |
| I | 1017.00 | NIST | |
| I | 1017.00 | NIST | |
| S°liquid | [243.75; 243.76] | J/mol×K |
|
| S°liquid | 243.76 | J/mol×K | NIST |
| S°liquid | 243.75 | J/mol×K | NIST |
| S°liquid | 243.75 | J/mol×K | NIST |
| Tboil | [391.15; 391.40] | K |
|
| Tboil | 391.40 | K | KDB |
| Tboil | 391.15 ± 1.50 | K | NIST |
| Tc | 598.00 | K | KDB |
| Tfus | 269.36 | K | NIST |
| Ttriple | [269.31; 269.35] | K |
|
| Ttriple | 269.31 ± 0.03 | K | NIST |
| Ttriple | 269.35 ± 0.00 | K | NIST |
| Ttriple | 269.35 ± 0.10 | K | NIST |
| Vc | 0.342 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [174.55; 256.13] | J/mol×K | [404.78; 618.71] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 180 200 220 240 260 400 500 600 | ||||
| Cp,gas | 174.55 | J/mol×K | 404.78 | Joback Calculated Property |
| Cp,gas | 189.85 | J/mol×K | 440.43 | Joback Calculated Property |
| Cp,gas | 204.46 | J/mol×K | 476.09 | Joback Calculated Property |
| Cp,gas | 218.38 | J/mol×K | 511.74 | Joback Calculated Property |
| Cp,gas | 231.63 | J/mol×K | 547.40 | Joback Calculated Property |
| Cp,gas | 244.20 | J/mol×K | 583.05 | Joback Calculated Property |
| Cp,gas | 256.13 | J/mol×K | 618.71 | Joback Calculated Property |
| Cp,liquid | [205.00; 222.76] | J/mol×K | [283.15; 333.15] |
|
|
T(K) Liquid phase heat capacity (J/mol×K) 205 210 215 220 300 320 | ||||
| Cp,liquid | 215.38 | J/mol×K | 283.15 | Excess ... |
| Cp,liquid | 216.85 | J/mol×K | 288.15 | Excess ... |
| Cp,liquid | 217.34 | J/mol×K | 293.15 | Excess ... |
| Cp,liquid | 205.00 | J/mol×K | 298.00 | NIST |
| Cp,liquid | 212.97 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 212.96 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 218.00 | J/mol×K | 298.15 | Excess ... |
| Cp,liquid | 212.97 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 218.99 | J/mol×K | 303.16 | Excess ... |
| Cp,liquid | 219.60 | J/mol×K | 308.15 | Excess ... |
| Cp,liquid | 220.18 | J/mol×K | 313.16 | Excess ... |
| Cp,liquid | 221.03 | J/mol×K | 318.15 | Excess ... |
| Cp,liquid | 221.40 | J/mol×K | 323.15 | Excess ... |
| Cp,liquid | 222.07 | J/mol×K | 328.15 | Excess ... |
| Cp,liquid | 222.76 | J/mol×K | 333.15 | Excess ... |
| ΔfusH | [18.58; 18.58] | kJ/mol | [269.36; 269.40] |
|
| ΔfusH | 18.58 | kJ/mol | 269.36 | NIST |
| ΔfusH | 18.58 | kJ/mol | 269.36 | NIST |
| ΔfusH | 18.58 | kJ/mol | 269.40 | NIST |
| ΔfusH | 18.58 | kJ/mol | 269.40 | NIST |
| ΔvapH | 38.20 | kJ/mol | 377.00 | NIST |
| ρl | [801.96; 846.70] | kg/m3 | [288.15; 338.15] |
|
|
T(K) Liquid Density (kg/m3) 800 810 820 830 840 850 300 320 | ||||
| ρl | 846.70 | kg/m3 | 288.15 | Tempera... |
| ρl | 835.79 | kg/m3 | 298.15 | Tempera... |
| ρl | 826.08 | kg/m3 | 308.15 | Tempera... |
| ρl | 817.35 | kg/m3 | 318.15 | Tempera... |
| ρl | 809.08 | kg/m3 | 328.15 | Tempera... |
| ρl | 801.96 | kg/m3 | 338.15 | Tempera... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 391.70 | K | 100.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.46; 202.63] | kPa | [269.45; 418.61] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42689e+01 | |||
| Coefficient B | -3.30031e+03 | |||
| Coefficient C | -5.01680e+01 | |||
| Temperature range, min. | 269.45 | |||
| Temperature range, max. | 418.61 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 300 350 400 | ||||
| Pvap | 0.46 | kPa | 269.45 | Calculated Property |
| Pvap | 1.32 | kPa | 286.02 | Calculated Property |
| Pvap | 3.30 | kPa | 302.60 | Calculated Property |
| Pvap | 7.39 | kPa | 319.17 | Calculated Property |
| Pvap | 15.06 | kPa | 335.74 | Calculated Property |
| Pvap | 28.39 | kPa | 352.32 | Calculated Property |
| Pvap | 50.10 | kPa | 368.89 | Calculated Property |
| Pvap | 83.59 | kPa | 385.46 | Calculated Property |
| Pvap | 132.88 | kPa | 402.04 | Calculated Property |
| Pvap | 202.63 | kPa | 418.61 | Calculated Property |
| Pvap | [2680.05; 9269.55] | kPa | [571.15; 703.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 3.37431e+01 | |||
| Coefficient B | -5.16582e+03 | |||
| Coefficient C | -2.67791e+00 | |||
| Coefficient D | 5.93169e-07 | |||
| Temperature range, min. | 571.15 | |||
| Temperature range, max. | 703.15 | |||
|
T(K) Vapor pressure (kPa) 3000 4000 5000 6000 7000 8000 9000 600 650 700 | ||||
| Pvap | 2680.05 | kPa | 571.15 | Calculated Property |
| Pvap | 3172.26 | kPa | 585.82 | Calculated Property |
| Pvap | 3720.76 | kPa | 600.48 | Calculated Property |
| Pvap | 4327.51 | kPa | 615.15 | Calculated Property |
| Pvap | 4994.23 | kPa | 629.82 | Calculated Property |
| Pvap | 5722.35 | kPa | 644.48 | Calculated Property |
| Pvap | 6513.09 | kPa | 659.15 | Calculated Property |
| Pvap | 7367.39 | kPa | 673.82 | Calculated Property |
| Pvap | 8286.03 | kPa | 688.48 | Calculated Property |
| Pvap | 9269.55 | kPa | 703.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylpiperidine.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- 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
- Excess Molar Enthalpies and Heat Capacities of {2-Methylpiperidine Water} and {N-Methylpiperidine Water} Systems of Low to Moderate Amine Compositions
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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