- InChI
- InChI=1S/C11H19NO4/c1-3-16-11(14)9-4-6-12(7-5-9)8-10(13)15-2/h9H,3-8H2,1-2H3
- InChI Key
- FDOUEVZZUSOBRB-UHFFFAOYSA-N
- Formula
- C11H19NO4
- SMILES
- CCOC(=O)C1CCN(CC(=O)OC)CC1
- Molecular Weight1
- 229.27
- CAS
- 71172-59-3
- 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 | 0.5925 | Relay (1.0) Calculated Property | |
| ΔfG° | -309.96 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -722.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.434 | Crippen Calculated Property | |
| McVol | 179.850 | ml/mol | McGowan Calculated Property |
| Pc | 2018.62 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 550.59 | K | Relay (1.0) Calculated Property |
| Tc | 738.46 | K | Relay (1.0) Calculated Property |
| Tfus | 321.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.645 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Carboxy-1-piperidineacetic acid, 4-ethyl-1, 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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