- InChI
- InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
- InChI Key
- RWRDLPDLKQPQOW-UHFFFAOYSA-N
- Formula
- C4H9N
- SMILES
- C1CCNC1
- Molecular Weight1
- 71.12
- CAS
- 123-75-1
- Other Names
-
- AZACYCLOPENTANE
- AZOLIDINE
- BUTYLENIMINE
- NSC 62781
- Perhydropyrrole
- Prolamine
- Pyrrole, tetrahydro-
- Pyrrolidine ring
- Tetrahydropyrrole
- Tetramethylenimine
- UN 1922
- perhydroazole
- tetrahydroazole
- tetramethyleneimine
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- μ : Dipole Moment (debye).
- 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).
- ν : Kinematic viscosity (m2/s).
- 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.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- csound,fluid : Speed of sound in fluid (m/s).
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2740 | KDB | |
| PAff | 948.30 | kJ/mol | NIST |
| BasG | 915.30 | kJ/mol | NIST |
| ΔcH°liquid | [-2819.30; -2819.20] | kJ/mol |
|
| ΔcH°liquid | -2819.30 ± 0.84 | kJ/mol | NIST |
| ΔcH°liquid | -2819.20 ± 0.75 | kJ/mol | NIST |
| μ | 1.60 | debye | KDB |
| ΔfG° | 114.80 | kJ/mol | KDB |
| ΔfH°gas | [-3.60; -3.40] | kJ/mol |
|
| ΔfH°gas | -3.60 | kJ/mol | KDB |
| ΔfH°gas | -3.40 ± 0.96 | kJ/mol | NIST |
| ΔfH°gas | -3.60 ± 0.92 | kJ/mol | NIST |
| ΔfH°liquid | [-41.20; -41.00] | kJ/mol |
|
| ΔfH°liquid | -41.00 ± 0.84 | kJ/mol | NIST |
| ΔfH°liquid | -41.20 ± 0.84 | kJ/mol | NIST |
| ΔfusH° | 8.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [37.52; 37.61] | kJ/mol |
|
| ΔvapH° | 37.52 | kJ/mol | NIST |
| ΔvapH° | 37.61 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 37.60 | kJ/mol | NIST |
| ΔvapH° | 37.57 ± 0.06 | kJ/mol | NIST |
| ΔvapH° | 37.60 | kJ/mol | NIST |
| IE | [8.41; 8.82] | eV |
|
| IE | Outlier 8.41 | eV | NIST |
| IE | 8.82 | eV | NIST |
| IE | 8.77 ± 0.02 | eV | NIST |
| IE | 8.77 ± 0.05 | eV | NIST |
| IE | 8.82 ± 0.03 | eV | NIST |
| IE | 8.77 ± 0.02 | eV | NIST |
| log10WS | 1.15 | Aq. Sol... | |
| logPoct/wat | 0.370 | Crippen Calculated Property | |
| McVol | 66.340 | ml/mol | McGowan Calculated Property |
| Pc | [5590.00; 5700.00] | kPa |
|
| Pc | 5590.00 | kPa | KDB |
| Pc | 5700.00 ± 103.40 | kPa | NIST |
| Inp | [645.00; 695.00] |
|
|
| Inp | 692.00 | NIST | |
| Inp | 674.90 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 690.00 | NIST | |
| Inp | Outlier 645.00 | NIST | |
| Inp | 688.00 | NIST | |
| Inp | 678.00 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 675.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 686.00 | NIST | |
| Inp | 671.00 | NIST | |
| Inp | 671.00 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 695.00 | NIST | |
| I | [994.00; 1047.00] |
|
|
| I | 1008.00 | NIST | |
| I | 1038.00 | NIST | |
| I | 1040.00 | NIST | |
| I | 999.00 | NIST | |
| I | 1047.00 | NIST | |
| I | 994.00 | NIST | |
| I | 995.00 | NIST | |
| I | 1020.00 | NIST | |
| I | 1031.00 | NIST | |
| I | 1032.00 | NIST | |
| I | 1034.00 | NIST | |
| I | 1006.00 | NIST | |
| I | 1003.00 | NIST | |
| I | 1022.00 | NIST | |
| I | 1020.00 | NIST | |
| S°liquid | [204.01; 204.10] | J/mol×K |
|
| S°liquid | 204.10 | J/mol×K | NIST |
| S°liquid | 204.01 | J/mol×K | NIST |
| Tboil | [359.40; 359.71] | K |
|
| Tboil | 359.71 | K | KDB |
| Tboil | 359.40 | K | Evoluti... |
| Tc | [568.20; 570.00] | K |
|
| Tc | 568.20 | K | KDB |
| Tc | 568.60 | K | NIST |
| Tc | 568.60 ± 0.40 | K | NIST |
| Tc | 570.00 ± 2.50 | K | NIST |
| Tfus | [211.95; 215.31] | K |
|
| Tfus | 215.31 | K | KDB |
| Tfus | 212.88 | K | Aq. Sol... |
| Tfus | 211.95 ± 0.50 | K | NIST |
| Ttriple | [215.24; 215.31] | K |
|
| Ttriple | 215.30 | K | KDB |
| Ttriple | 215.31 ± 0.07 | K | NIST |
| Ttriple | 215.24 ± 0.05 | K | NIST |
| Ttriple | 215.31 ± 0.06 | K | NIST |
| Ttriple | 215.30 ± 0.03 | K | NIST |
| Vc | [0.238; 0.249] | m3/kmol |
|
| Vc | 0.238 | m3/kmol | KDB |
| Vc | 0.249 ± 0.005 | m3/kmol | NIST |
| Zc | 0.2816120 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [102.22; 161.19] | J/mol×K | [359.42; 568.40] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 100 110 120 130 140 150 160 400 450 500 550 | ||||
| Cp,gas | 102.22 | J/mol×K | 359.42 | Joback Calculated Property |
| Cp,gas | 113.40 | J/mol×K | 394.25 | Joback Calculated Property |
| Cp,gas | 124.01 | J/mol×K | 429.08 | Joback Calculated Property |
| Cp,gas | 134.07 | J/mol×K | 463.91 | Joback Calculated Property |
| Cp,gas | 143.61 | J/mol×K | 498.74 | Joback Calculated Property |
| Cp,gas | 152.65 | J/mol×K | 533.57 | Joback Calculated Property |
| Cp,gas | 161.19 | J/mol×K | 568.40 | Joback Calculated Property |
| Cp,liquid | [156.57; 160.20] | J/mol×K | [298.00; 298.15] |
|
| Cp,liquid | 160.20 | J/mol×K | 298.00 | NIST |
| Cp,liquid | 156.57 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 156.57 | J/mol×K | 298.15 | NIST |
| ΔfusH | [0.54; 8.58] | kJ/mol | [207.10; 215.30] |
|
| ΔfusH | 0.54 | kJ/mol | 207.10 | NIST |
| ΔfusH | 8.58 | kJ/mol | 215.30 | NIST |
| ΔfusH | 8.58 | kJ/mol | 215.30 | NIST |
| ΔvapH | [33.00; 38.40] | kJ/mol | [293.00; 360.00] |
|
|
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 33 34 35 36 37 38 300 320 340 360 | ||||
| ΔvapH | 38.40 | kJ/mol | 293.00 | NIST |
| ΔvapH | 35.80 ± 0.10 | kJ/mol | 322.00 | NIST |
| ΔvapH | 37.30 | kJ/mol | 327.00 | NIST |
| ΔvapH | 34.50 ± 0.10 | kJ/mol | 340.00 | NIST |
| ΔvapH | 35.80 | kJ/mol | 355.00 | NIST |
| ΔvapH | 33.09 | kJ/mol | 359.00 | KDB |
| ΔvapH | 33.01 | kJ/mol | 359.70 | NIST |
| ΔvapH | 33.00 ± 0.10 | kJ/mol | 360.00 | NIST |
| ν | [0.0000006; 0.0000010] | m2/s | [293.15; 323.15] |
|
| ν | 0.0000010 | m2/s | 293.15 | Densiti... |
| ν | 0.0000008 | m2/s | 303.15 | Densiti... |
| ν | 0.0000007 | m2/s | 313.15 | Densiti... |
| ν | 0.0000006 | m2/s | 323.15 | Densiti... |
| Pvap | [2.04; 101.33] | kPa | [273.16; 359.40] |
|
|
T(K) Vapor pressure (kPa) 0 20 40 60 80 100 300 350 | ||||
| Pvap | 2.04 | kPa | 273.16 | Vapor P... |
| Pvap | 3.86 | kPa | 283.73 | Vapor P... |
| Pvap | 4.98 | kPa | 288.23 | Vapor P... |
| Pvap | 6.50 | kPa | 293.10 | Vapor P... |
| Pvap | 6.52 | kPa | 293.25 | Vapor P... |
| Pvap | 8.46 | kPa | 298.15 | Vapor P... |
| Pvap | 10.87 | kPa | 303.25 | Vapor P... |
| Pvap | 13.59 | kPa | 307.93 | Vapor P... |
| Pvap | 17.54 | kPa | 313.46 | Vapor P... |
| Pvap | 19.99 | kPa | 316.90 | Evoluti... |
| Pvap | 26.66 | kPa | 323.40 | Evoluti... |
| Pvap | 33.33 | kPa | 329.00 | Evoluti... |
| Pvap | 46.66 | kPa | 337.60 | Evoluti... |
| Pvap | 66.66 | kPa | 347.50 | Evoluti... |
| Pvap | 86.66 | kPa | 354.90 | Evoluti... |
| Pvap | 101.33 | kPa | 359.40 | Evoluti... |
| ρl | [833.70; 854.60] | kg/m3 | [295.00; 323.15] |
|
| ρl | 852.00 | kg/m3 | 295.00 | KDB |
| ρl | 854.60 | kg/m3 | 298.15 | Densiti... |
| ρl | 833.70 | kg/m3 | 323.15 | Densiti... |
| ΔfusS | [2.61; 39.84] | J/mol×K | [207.10; 215.30] |
|
| ΔfusS | 2.61 | J/mol×K | 207.10 | NIST |
| ΔfusS | 39.84 | J/mol×K | 215.30 | NIST |
| csound,fluid | [1263.00; 1389.40] | m/s | [293.00; 323.00] |
|
| csound,fluid | 1389.40 | m/s | 293.00 | Speed o... |
| csound,fluid | 1348.00 | m/s | 303.00 | Speed o... |
| csound,fluid | 1305.80 | m/s | 313.00 | Speed o... |
| csound,fluid | 1263.00 | m/s | 323.00 | Speed o... |
| γ | [0.03; 0.03] | N/m | [293.15; 323.15] |
|
|
T(K) Surface Tension (N/m) 0.03 0.03 0.03 0.03 300 310 320 | ||||
| γ | 0.03 | N/m | 293.15 | Surface... |
| γ | 0.03 | N/m | 293.20 | KDB |
| γ | 0.03 | N/m | 298.15 | Surface... |
| γ | 0.03 | N/m | 298.15 | Densiti... |
| γ | 0.03 | N/m | 303.15 | Surface... |
| γ | 0.03 | N/m | 313.15 | Surface... |
| γ | 0.03 | N/m | 323.15 | Surface... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [267.20; 383.05] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.44189e+01 | |||
| Coefficient B | -2.96769e+03 | |||
| Coefficient C | -5.71920e+01 | |||
| Temperature range, min. | 267.20 | |||
| Temperature range, max. | 383.05 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 300 350 | ||||
| Pvap | 1.33 | kPa | 267.20 | Calculated Property |
| Pvap | 3.02 | kPa | 280.07 | Calculated Property |
| Pvap | 6.24 | kPa | 292.94 | Calculated Property |
| Pvap | 11.97 | kPa | 305.82 | Calculated Property |
| Pvap | 21.54 | kPa | 318.69 | Calculated Property |
| Pvap | 36.69 | kPa | 331.56 | Calculated Property |
| Pvap | 59.57 | kPa | 344.43 | Calculated Property |
| Pvap | 92.79 | kPa | 357.31 | Calculated Property |
| Pvap | 139.36 | kPa | 370.18 | Calculated Property |
| Pvap | 202.67 | kPa | 383.05 | Calculated Property |
| Pvap | [0.01; 5630.66] | kPa | [215.31; 568.55] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.08983e+02 | |||
| Coefficient B | -8.21427e+03 | |||
| Coefficient C | -1.40875e+01 | |||
| Coefficient D | 1.06991e-05 | |||
| Temperature range, min. | 215.31 | |||
| Temperature range, max. | 568.55 | |||
|
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 5000 6000 300 400 500 | ||||
| Pvap | 0.01 | kPa | 215.31 | Calculated Property |
| Pvap | 0.53 | kPa | 254.56 | Calculated Property |
| Pvap | 6.63 | kPa | 293.81 | Calculated Property |
| Pvap | 39.74 | kPa | 333.06 | Calculated Property |
| Pvap | 149.80 | kPa | 372.31 | Calculated Property |
| Pvap | 415.98 | kPa | 411.55 | Calculated Property |
| Pvap | 941.31 | kPa | 450.80 | Calculated Property |
| Pvap | 1855.13 | kPa | 490.05 | Calculated Property |
| Pvap | 3332.01 | kPa | 529.30 | Calculated Property |
| Pvap | 5630.66 | kPa | 568.55 | Calculated Property |
Similar Compounds
Find more compounds similar to Pyrrolidine.
Mixtures
- Pyrrolidine + Water
- Pyrrolidine + Piperidine
- Pyrrolidine + Piperidine + Water
- Pyrrolidine + Heptane
- sodium hydroxide + Pyrrolidine + Water
Sources
- KDB Pure (Korean Thermophysical Properties Databank)
- KDB Vapor Pressure Data
- Crippen Method
- Experimental solid-liquid-liquid equilibrium data for the H2O + NaOH + pyrrolidine ternary system. Application to theextraction of N-aminopyrrolidine
- Thermodynamic study of (heptane + amine) mixtures. III: Excess and partial molar volumes in mixtures with secondary, tertiary, and cyclic amines at 298.15 K
- Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
- Densities and Excess and Partial Molar Volumes of Aqueous Pyrrolidine at 25 and 50 C and Aqueous Morpholine at 25 and 60 C
- Surface Behavior of Aqueous Solutions of Pyrrolidine and Piperidine
- Densities and Viscosities of Aqueous Solutions of Pyrrolidine and Piperidine from (20 to 50) deg C
- Speed of sound and isentropic compressibility of aqueous solutions of pyrrolidine and piperidine
- Evolution of the Liquid Vapor Equilibrium Properties of Several Unsymmetrical Amines: Determination of Their Binary Isobaric Diagrams and Applications to the Distillation
- Densities, Viscosities, Surface Tensions, and Speeds of Sound of Aqueous Solutions of Piperidine + Pyrrolidine + Water
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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