- InChI
- InChI=1S/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2
- InChI Key
- AGRIQBHIKABLPJ-UHFFFAOYSA-N
- Formula
- C5H9NO
- SMILES
- O=CN1CCCC1
- Molecular Weight1
- 99.13
- CAS
- 3760-54-1
- Other Names
-
- N-Formylpyrrolidine
- 1-Formylpyrrolidine
- Prolinal
- pyrrolidine-1-carbaldehyde
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ω | 0.3691 | Relay (1.0) Calculated Property | |
| ΔfG° | 6.49 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -187.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 52.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.239 | Crippen Calculated Property | |
| McVol | 82.000 | ml/mol | McGowan Calculated Property |
| Pc | 5282.14 | kPa | Relay (1.0-beta) Calculated Property |
| I | 1691.00 | NIST | |
| Tboil | 482.72 | K | Relay (1.0) Calculated Property |
| Tc | 702.76 | K | Relay (1.0) Calculated Property |
| Tfus | 249.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.290 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 369.50 ± 1.50 | K | 2.30 | NIST |
Similar Compounds
Find more compounds similar to 1-Pyrrolidinecarboxaldehyde.
Sources
- 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
- McGowan Method
- NIST Webbook
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