- InChI
- InChI=1S/C20H34N2O5/c1-3-5-10-15-27-19(24)17-12-7-8-13-21(17)18(23)16-11-6-9-14-22(16)20(25)26-4-2/h16-17H,3-15H2,1-2H3
- InChI Key
- XWZGEEUTMORDQU-UHFFFAOYSA-N
- Formula
- C20H34N2O5
- SMILES
-
CCCCCOC(=O)C1CCCCN1C(=O)C1CCCC
N1C(=O)OCC - Molecular Weight1
- 382.49
- 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 | 0.8892 | Relay (... Calculated Property | |
| ΔfG° | -253.94 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1064.74 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 109.08 | kJ/mol | Relay (... Calculated Property |
| IE | 8.33 | eV | Relay (... Calculated Property |
| log10WS | -3.01 | Relay (... Calculated Property | |
| logPoct/wat | 3.112 | Crippen Calculated Property | |
| McVol | 307.350 | ml/mol | McGowan Calculated Property |
| Pc | 888.10 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2681.00; 2681.00] |
|
|
| Inp | 2681.00 | NIST | |
| Inp | 2681.00 | NIST | |
| Tboil | 669.25 | K | Relay (... Calculated Property |
| Tc | 906.74 | K | Relay (... Calculated Property |
| Tfus | 350.47 | K | Relay (... Calculated Property |
| Vc | 1.120 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pipecolylpipecolic acid, N-ethoxycarbonyl-, pentyl 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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