- InChI
- InChI=1S/C6H11NO/c1-6(8)7-4-2-3-5-7/h2-5H2,1H3
- InChI Key
- LNWWQYYLZVZXKS-UHFFFAOYSA-N
- Formula
- C6H11NO
- SMILES
- CC(=O)N1CCCC1
- Molecular Weight1
- 113.16
- CAS
- 4030-18-6
- Other Names
-
- N-Acetylpyrrolidine
- 1-Acetylpyrrolidine
- N-Acetypyrrolidine
- Pyrrolidine, N-acetyl
- Acetylpyrrolidine
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.3806 | Relay (1.0) Calculated Property | |
| PAff | 925.40 | kJ/mol | NIST |
| BasG | 894.40 | kJ/mol | NIST |
| ΔfG° | -12.75 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -254.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 51.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.629 | Crippen Calculated Property | |
| McVol | 96.090 | ml/mol | McGowan Calculated Property |
| Pc | 4162.75 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1128.00; 1128.00] |
|
|
| Inp | 1128.00 | NIST | |
| Inp | 1128.00 | NIST | |
| I | [1766.00; 1766.00] |
|
|
| I | 1766.00 | NIST | |
| I | 1766.00 | NIST | |
| Tboil | 477.41 | K | Relay (1.0) Calculated Property |
| Tc | 682.52 | K | Relay (1.0) Calculated Property |
| Tfus | 297.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.343 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 379.00 ± 1.00 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Pyrrolidine, 1-acetyl-.
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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