- InChI
- InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m1/s1
- InChI Key
- GNMSLDIYJOSUSW-ZCFIWIBFSA-N
- Formula
- C7H10NO3
- SMILES
- CC(=O)N1CCCC1C(=O)O
- Molecular Weight1
- 156.16
- CAS
- 68-95-1
- Other Names
-
- Proline, 1-acetyl-, L-
- Acetylproline
- N-Acetyl-L-proline
- 1-acetyl-L-proline
- 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 | 0.6492 | Relay (... Calculated Property | |
| ΔfG° | -296.67 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -588.20 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 85.68 | kJ/mol | Relay (... Calculated Property |
| IE | 9.12 | eV | Relay (... Calculated Property |
| log10WS | 0.43 | Relay (... Calculated Property | |
| logPoct/wat | 0.082 | Crippen Calculated Property | |
| McVol | 117.620 | ml/mol | McGowan Calculated Property |
| Pc | 3745.85 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 544.13 | K | Relay (... Calculated Property |
| Tc | 776.55 | K | Relay (... Calculated Property |
| Tfus | 427.31 | K | Relay (... Calculated Property |
| Vc | 0.406 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, 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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