- InChI
- InChI=1S/C12H21NO3/c1-3-4-5-8-11(14)13-9-6-7-10(13)12(15)16-2/h10H,3-9H2,1-2H3
- InChI Key
- UJMPCCUZXBIYLS-UHFFFAOYSA-N
- Formula
- C12H21NO3
- SMILES
- CCCCCC(=O)N1CCCC1C(=O)OC
- Molecular Weight1
- 227.30
- 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 | 0.6261 | Relay (1.0) Calculated Property | |
| ΔfG° | -204.07 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -646.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.731 | Crippen Calculated Property | |
| McVol | 188.070 | ml/mol | McGowan Calculated Property |
| Pc | 1957.62 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1721.00; 1721.00] |
|
|
| Inp | 1721.00 | NIST | |
| Inp | 1721.00 | NIST | |
| Tboil | 562.70 | K | Relay (1.0) Calculated Property |
| Tc | 763.58 | K | Relay (1.0) Calculated Property |
| Tfus | 315.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.680 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to l-Proline, N-caproyl-, methyl 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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