- InChI
- InChI=1S/C19H32N2O5/c1-4-25-19(24)21-12-8-5-9-15(21)17(22)20-11-7-6-10-16(20)18(23)26-13-14(2)3/h14-16H,4-13H2,1-3H3
- InChI Key
- VLIHUWBWTARHIY-UHFFFAOYSA-N
- Formula
- C19H32N2O5
- SMILES
-
CCOC(=O)N1CCCCC1C(=O)N1CCCCC1C
(=O)OCC(C)C - Molecular Weight1
- 368.47
- 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 | 0.8159 | Relay (1.0) Calculated Property | |
| ΔfG° | -266.24 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1062.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.578 | Crippen Calculated Property | |
| McVol | 293.260 | ml/mol | McGowan Calculated Property |
| Pc | 861.39 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2539.00; 2539.00] |
|
|
| Inp | 2539.00 | NIST | |
| Inp | 2539.00 | NIST | |
| Tboil | 665.00 | K | Relay (1.0) Calculated Property |
| Tc | 895.78 | K | Relay (1.0) Calculated Property |
| Tfus | 363.05 | K | Relay (1.0) Calculated Property |
| Vc | 1.064 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pipecolylpipecolic acid, N-ethoxycarbonyl-, isobutyl 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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