- InChI
- InChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3
- InChI Key
- RGHPCLZJAFCTIK-UHFFFAOYSA-N
- Formula
- C5H11N
- SMILES
- CC1CCCN1
- Molecular Weight1
- 85.15
- CAS
- 765-38-8
- Other Names
-
- Pyrrolidine, 2-methyl-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2866 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -41.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.758 | Crippen Calculated Property | |
| McVol | 80.430 | ml/mol | McGowan Calculated Property |
| Pc | 4486.22 | kPa | Joback Calculated Property |
| Tboil | 367.63 | K | Relay (1.0) Calculated Property |
| Tc | 573.18 | K | Relay (1.0) Calculated Property |
| Tfus | 219.70 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [95.43; 291.80] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.52200e+01 | |||
| Coefficient B | 5.97120e-01 | |||
| Coefficient C | -3.15000e-04 | |||
| Coefficient D | 5.49000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 95.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 129.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 159.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 186.36 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 210.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 231.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 250.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 266.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 280.14 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 291.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [274.42; 420.01] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.32514e+01 | |||
| Coefficient B | -2.98284e+03 | |||
| Coefficient C | -4.43300e+01 | |||
| Temperature range, min. | 274.42 | |||
| Temperature range, max. | 420.01 | |||
| Pvap | 1.33 | kPa | 274.42 | Calculated Property |
| Pvap | 3.12 | kPa | 290.60 | Calculated Property |
| Pvap | 6.59 | kPa | 306.77 | Calculated Property |
| Pvap | 12.75 | kPa | 322.95 | Calculated Property |
| Pvap | 22.94 | kPa | 339.13 | Calculated Property |
| Pvap | 38.84 | kPa | 355.30 | Calculated Property |
| Pvap | 62.41 | kPa | 371.48 | Calculated Property |
| Pvap | 95.90 | kPa | 387.66 | Calculated Property |
| Pvap | 141.78 | kPa | 403.83 | Calculated Property |
| Pvap | 202.66 | kPa | 420.01 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylpyrrolidine.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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