- InChI
- InChI=1S/C12H21NO2/c1-9(2)10(14)12(3,4)11(15)13-7-5-6-8-13/h9H,5-8H2,1-4H3
- InChI Key
- QCMUKRBNJZARHX-UHFFFAOYSA-N
- Formula
- C12H21NO2
- SMILES
- CC(C)C(=O)C(C)(C)C(=O)N1CCCC1
- Molecular Weight1
- 211.30
- CAS
- 91690-82-3
- 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 | 0.5124 | Relay (... Calculated Property | |
| ΔfG° | -47.46 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -470.34 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 63.30 | kJ/mol | Relay (... Calculated Property |
| IE | 8.14 | eV | Relay (... Calculated Property |
| log10WS | -1.14 | Relay (... Calculated Property | |
| logPoct/wat | 1.860 | Crippen Calculated Property | |
| McVol | 182.200 | ml/mol | McGowan Calculated Property |
| Pc | 1973.92 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 538.49 | K | Relay (... Calculated Property |
| Tc | 757.85 | K | Relay (... Calculated Property |
| Tfus | 341.56 | K | Relay (... Calculated Property |
| Vc | 0.664 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)-.
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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