- InChI
- InChI=1S/C8H15NO/c1-2-5-8(10)9-6-3-4-7-9/h2-7H2,1H3
- InChI Key
- QEAWNPFOQLJDAY-UHFFFAOYSA-N
- Formula
- C8H15NO
- SMILES
- CCCC(=O)N1CCCC1
- Molecular Weight1
- 141.21
- CAS
- 33527-93-4
- Other Names
-
- Pyrrolidine, 1-butyryl-
- AI 335467aGa
- 1-Butyrylpyrrolidine
- Pyrrolidine, N-butanoyl
- NSC 191001
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4708 | Relay (1.0) Calculated Property | |
| ΔfG° | -5.59 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -290.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 54.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.409 | Crippen Calculated Property | |
| McVol | 124.270 | ml/mol | McGowan Calculated Property |
| Pc | 2961.43 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 491.42 | K | Relay (1.0) Calculated Property |
| Tc | 699.38 | K | Relay (1.0) Calculated Property |
| Tfus | 258.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.458 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrrolidine, 1-(1-oxobutyl)-.
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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