- InChI
- InChI=1S/C21H36N2O5/c1-3-5-15-27-20(25)18-12-8-9-13-22(18)19(24)17-11-7-10-14-23(17)21(26)28-16-6-4-2/h17-18H,3-16H2,1-2H3
- InChI Key
- WFYHJQUXZLBDSL-UHFFFAOYSA-N
- Formula
- C21H36N2O5
- SMILES
-
CCCCOC(=O)C1CCCCN1C(=O)C1CCCCN
1C(=O)OCCCC - Molecular Weight1
- 396.52
- 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 | 0.9358 | Relay (1.0) Calculated Property | |
| ΔfG° | -251.75 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1084.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 110.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.502 | Crippen Calculated Property | |
| McVol | 321.440 | ml/mol | McGowan Calculated Property |
| Pc | 900.44 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2718.00; 2718.00] |
|
|
| Inp | 2718.00 | NIST | |
| Inp | 2718.00 | NIST | |
| Tboil | 675.49 | K | Relay (1.0) Calculated Property |
| Tc | 914.66 | K | Relay (1.0) Calculated Property |
| Tfus | 337.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.175 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pipecolylpipecolic acid, N-butoxycarbonyl-, butyl 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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