- InChI
- InChI=1S/C14H23NO3/c1-2-18-14(17)12-9-6-10-15(12)13(16)11-7-4-3-5-8-11/h11-12H,2-10H2,1H3
- InChI Key
- YSHYBOANKZNAAU-UHFFFAOYSA-N
- Formula
- C14H23NO3
- SMILES
- CCOC(=O)C1CCCN1C(=O)C1CCCCC1
- Molecular Weight1
- 253.34
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5745 | Relay (1.0) Calculated Property | |
| ΔfG° | -180.95 | kJ/mol | Relay (1.0-beta) Calculated Property ⚠️ |
| ΔfH°gas | -658.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 85.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.121 | Crippen Calculated Property | |
| McVol | 205.390 | ml/mol | McGowan Calculated Property |
| Pc | 1703.74 | kPa | Relay (1.0-beta) Calculated Property ⚠️ |
| Inp | [1992.00; 1992.00] |
|
|
| Inp | 1992.00 | NIST | |
| Inp | 1992.00 | NIST | |
| Tboil | 602.92 | K | Relay (1.0) Calculated Property |
| Tc | 828.16 | K | Relay (1.0) Calculated Property |
| Tfus | 361.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.744 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(cyclohexanecarbonyl)-, ethyl ester.
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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