- InChI
- InChI=1S/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3
- InChI Key
- AVFZOVWCLRSYKC-UHFFFAOYSA-N
- Formula
- C5H11N
- SMILES
- CN1CCCC1
- Molecular Weight1
- 85.15
- CAS
- 120-94-5
- Other Names
-
- 1-methylpyrrolidine
- Methylpyrrolidine
- N-methylpyrrolidine
- N-methyltetrahydropyrrole
- Pyrrolidine, N-methyl
- Pyrrolidine,l-methyl-
- pyrrolidine, N-methyl-
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- 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).
- Pvap : Vapor pressure (kPa).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 965.60 | kJ/mol | NIST |
| BasG | 934.80 | kJ/mol | NIST |
| ΔvapH° | 34.20 ± 0.70 | kJ/mol | NIST |
| IE | [8.41; 8.41] | eV |
|
| IE | 8.41 ± 0.02 | eV | NIST |
| IE | 8.41 ± 0.02 | eV | NIST |
| IE | 8.41 ± 0.05 | eV | NIST |
| IE | 8.41 ± 0.02 | eV | NIST |
| log10WS | 1.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.712 | Crippen Calculated Property | |
| McVol | 80.430 | ml/mol | McGowan Calculated Property |
| Inp | [651.00; 697.00] |
|
|
| Inp | 680.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | Outlier 697.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 673.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 665.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 673.00 | NIST | |
| I | [839.00; 880.00] |
|
|
| I | 849.00 | NIST | |
| I | 865.00 | NIST | |
| I | 870.00 | NIST | |
| I | 847.00 | NIST | |
| I | 844.00 | NIST | |
| I | 880.00 | NIST | |
| I | 865.00 | NIST | |
| I | 839.00 | NIST | |
| I | 861.00 | NIST | |
| Tboil | [352.45; 353.70] | K |
|
| Tboil | 353.70 | K | NIST |
| Tboil | 352.50 ± 0.15 | K | NIST |
| Tboil | 352.45 ± 0.50 | K | NIST |
| Tc | 548.62 | K | DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development |
| Tfus | 179.15 ± 0.40 | K | NIST |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [254.31; 378.61] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41909e+01 | |||
| Coefficient B | -3.05442e+03 | |||
| Coefficient C | -3.46200e+01 | |||
| Temperature range, min. | 254.31 | |||
| Temperature range, max. | 378.61 | |||
| Pvap | 1.33 | kPa | 254.31 | Calculated Property |
| Pvap | 3.03 | kPa | 268.12 | Calculated Property |
| Pvap | 6.30 | kPa | 281.93 | Calculated Property |
| Pvap | 12.11 | kPa | 295.74 | Calculated Property |
| Pvap | 21.79 | kPa | 309.55 | Calculated Property |
| Pvap | 37.06 | kPa | 323.37 | Calculated Property |
| Pvap | 60.07 | kPa | 337.18 | Calculated Property |
| Pvap | 93.34 | kPa | 350.99 | Calculated Property |
| Pvap | 139.78 | kPa | 364.80 | Calculated Property |
| Pvap | 202.66 | kPa | 378.61 | Calculated Property |
| Pvap | [1.56e-03; 4137.60] | kPa | [183.15; 550.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 5.59271e+01 | |||
| Coefficient B | -5.61155e+03 | |||
| Coefficient C | -6.11939e+00 | |||
| Coefficient D | 4.02154e-06 | |||
| Temperature range, min. | 183.15 | |||
| Temperature range, max. | 550.00 | |||
| Pvap | 1.56e-03 | kPa | 183.15 | Calculated Property |
| Pvap | 0.13 | kPa | 223.91 | Calculated Property |
| Pvap | 2.39 | kPa | 264.67 | Calculated Property |
| Pvap | 18.47 | kPa | 305.43 | Calculated Property |
| Pvap | 83.07 | kPa | 346.19 | Calculated Property |
| Pvap | 261.43 | kPa | 386.96 | Calculated Property |
| Pvap | 644.75 | kPa | 427.72 | Calculated Property |
| Pvap | 1339.77 | kPa | 468.48 | Calculated Property |
| Pvap | 2462.10 | kPa | 509.24 | Calculated Property |
| Pvap | 4137.60 | kPa | 550.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Pyrrolidine, 1-methyl-.
Sources
- KDB Vapor Pressure Data
- 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
- Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
- DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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