- InChI
- InChI=1S/C12H21NO4/c1-4-16-11(14)10-6-5-7-13(10)12(15)17-8-9(2)3/h9-10H,4-8H2,1-3H3
- InChI Key
- CPUIHWCEYFMZBG-UHFFFAOYSA-N
- Formula
- C12H21NO4
- SMILES
- CCOC(=O)C1CCCN1C(=O)OCC(C)C
- Molecular Weight1
- 243.30
- 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 | 0.6509 | Relay (1.0) Calculated Property | |
| ΔfG° | -322.63 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -843.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 78.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.807 | Crippen Calculated Property | |
| McVol | 193.940 | ml/mol | McGowan Calculated Property |
| Pc | 1786.11 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1620.00 | NIST | |
| Tboil | 573.52 | K | Relay (1.0) Calculated Property |
| Tc | 754.72 | K | Relay (1.0) Calculated Property |
| Tfus | 284.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.718 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to d-Proline, N-isobutoxycarbonyl-, 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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