- InChI
- InChI=1S/C26H46N2O5/c1-3-5-7-8-9-10-15-21-32-25(30)23-17-12-13-18-27(23)24(29)22-16-11-14-19-28(22)26(31)33-20-6-4-2/h22-23H,3-21H2,1-2H3
- InChI Key
- BOCCIIIIHGJORI-UHFFFAOYSA-N
- Formula
- C26H46N2O5
- SMILES
-
CCCCCCCCCOC(=O)C1CCCCN1C(=O)C1
CCCCN1C(=O)OCCCC - Molecular Weight1
- 466.65
- 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 | 1.1200 | Relay (1.0) Calculated Property | |
| ΔfG° | -208.46 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1184.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 127.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.452 | Crippen Calculated Property | |
| McVol | 391.890 | ml/mol | McGowan Calculated Property |
| Pc | 439.47 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3211.00; 3211.00] |
|
|
| Inp | 3211.00 | NIST | |
| Inp | 3211.00 | NIST | |
| Tboil | 709.51 | K | Relay (1.0) Calculated Property |
| Tc | 949.30 | K | Relay (1.0) Calculated Property |
| Tfus | 342.71 | K | Relay (1.0) Calculated Property |
| Vc | 1.442 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pipecolylpipecolic acid, N-butoxycarbonyl-, nonyl 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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