- InChI
- InChI=1S/C25H44N2O5/c1-3-5-7-8-9-14-20-31-24(29)22-16-11-12-17-26(22)23(28)21-15-10-13-18-27(21)25(30)32-19-6-4-2/h21-22H,3-20H2,1-2H3
- InChI Key
- GKYGEGYTYPFXIU-UHFFFAOYSA-N
- Formula
- C25H44N2O5
- SMILES
-
CCCCCCCCOC(=O)C1CCCCN1C(=O)C1C
CCCN1C(=O)OCCCC - Molecular Weight1
- 452.63
- 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 | 1.0837 | Relay (1.0) Calculated Property | |
| ΔfG° | -216.43 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1164.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 123.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.062 | Crippen Calculated Property | |
| McVol | 377.800 | ml/mol | McGowan Calculated Property |
| Pc | 528.97 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3108.00; 3108.00] |
|
|
| Inp | 3108.00 | NIST | |
| Inp | 3108.00 | NIST | |
| Tboil | 703.05 | K | Relay (1.0) Calculated Property |
| Tc | 942.91 | K | Relay (1.0) Calculated Property |
| Tfus | 341.92 | K | Relay (1.0) Calculated Property |
| Vc | 1.388 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pipecolylpipecolic acid, N-butoxycarbonyl-, octyl 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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