- InChI
- InChI=1S/C13H23NO4/c1-5-17-13(16)14-8-6-7-11(14)12(15)18-10(4)9(2)3/h9-11H,5-8H2,1-4H3/t10-,11?/m0/s1
- InChI Key
- SYKQJQHZOPVPTP-VUWPPUDQSA-N
- Formula
- C13H23NO4
- SMILES
- CCOC(=O)N1CCCC1C(=O)OC(C)C(C)C
- Molecular Weight1
- 257.33
- 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 | 0.6410 | Relay (1.0) Calculated Property | |
| ΔfG° | -318.89 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -875.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 80.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.195 | Crippen Calculated Property | |
| McVol | 208.030 | ml/mol | McGowan Calculated Property |
| Pc | 1733.64 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1692.70; 1692.70] |
|
|
| Inp | 1692.70 | NIST | |
| Inp | 1692.70 | NIST | |
| Tboil | 572.66 | K | Relay (1.0) Calculated Property |
| Tc | 760.69 | K | Relay (1.0) Calculated Property |
| Tfus | 297.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.761 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to D-Proline, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl 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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