- 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-METHYLTETRAHYDROPYRROLE
- N-Methylpyrrolidine
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
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 | -0.38 | Crippen 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 | 673.00 | NIST | |
| Inp | 674.00 | 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 |
| Tfus | 179.15 ± 0.40 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 161.10 | J/mol×K | 298.00 | NIST |
| ΔvapH | [33.70; 35.00] | kJ/mol | [284.00; 294.00] |
|
| ΔvapH | 35.00 ± 0.70 | kJ/mol | 284.00 | NIST |
| ΔvapH | 33.70 | kJ/mol | 294.00 | NIST |
| Pvap | [3.90; 27.46] | kPa | [273.17; 314.75] |
|
| Pvap | 3.90 | kPa | 273.17 | Vapor P... |
| Pvap | 6.61 | kPa | 283.23 | Vapor P... |
| Pvap | 8.62 | kPa | 288.56 | Vapor P... |
| Pvap | 10.82 | kPa | 293.36 | Vapor P... |
| Pvap | 11.80 | kPa | 295.08 | Vapor P... |
| Pvap | 13.47 | kPa | 298.19 | Vapor P... |
| Pvap | 15.29 | kPa | 300.74 | Vapor P... |
| Pvap | 16.80 | kPa | 302.94 | Vapor P... |
| Pvap | 20.80 | kPa | 307.88 | Vapor P... |
| Pvap | 23.69 | kPa | 311.12 | Vapor P... |
| Pvap | 27.46 | kPa | 314.75 | Vapor P... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [254.31; 378.61] |
The Yaw...
|
| 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 Vap...
|
| 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
- 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
- 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.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.