- InChI
- InChI=1S/C4H7N/c1-2-4-5-3-1/h3H,1-2,4H2
- InChI Key
- ZVJHJDDKYZXRJI-UHFFFAOYSA-N
- Formula
- C4H7N
- SMILES
- C1=NCCC1
- Molecular Weight1
- 69.11
- CAS
- 5724-81-2
- Other Names
-
- 3,4-dihydro-2H-pyrrole
- 2H-Pyrrole, 3,4-dihydro-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- 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).
- 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 173.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 63.00 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 5.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.00 | kJ/mol | NIST |
| IE | 9.71 | eV | NIST |
| log10WS | -0.56 | Crippen Calculated Property | |
| logPoct/wat | 0.851 | Crippen Calculated Property | |
| McVol | 62.040 | ml/mol | McGowan Calculated Property |
| Pc | 5470.75 | kPa | Joback Calculated Property |
| Inp | [645.00; 656.00] |
|
|
| Inp | 656.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 656.00 | NIST | |
| I | [990.00; 1021.00] |
|
|
| I | 1021.00 | NIST | |
| I | 990.00 | NIST | |
| I | 1021.00 | NIST | |
| Tboil | 363.73 | K | Joback Calculated Property |
| Tc | 580.22 | K | Joback Calculated Property |
| Tfus | 222.28 | K | Joback Calculated Property |
| Vc | 0.236 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [100.57; 161.01] | J/mol×K | [363.73; 580.22] |
|
| Cp,gas | 100.57 | J/mol×K | 363.73 | Joback Calculated Property |
| Cp,gas | 112.11 | J/mol×K | 399.81 | Joback Calculated Property |
| Cp,gas | 123.04 | J/mol×K | 435.89 | Joback Calculated Property |
| Cp,gas | 133.39 | J/mol×K | 471.97 | Joback Calculated Property |
| Cp,gas | 143.15 | J/mol×K | 508.06 | Joback Calculated Property |
| Cp,gas | 152.36 | J/mol×K | 544.14 | Joback Calculated Property |
| Cp,gas | 161.01 | J/mol×K | 580.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Pyrroline.
Sources
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