- InChI
- InChI=1S/C21H36N2O5/c1-15(2)13-27-20(25)18-10-6-7-11-22(18)19(24)17-9-5-8-12-23(17)21(26)28-14-16(3)4/h15-18H,5-14H2,1-4H3
- InChI Key
- RYOKFHBWCNJNCA-UHFFFAOYSA-N
- Formula
- C21H36N2O5
- SMILES
-
CC(C)COC(=O)C1CCCCN1C(=O)C1CCC
CN1C(=O)OCC(C)C - 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 | 0.8821 | Relay (1.0) Calculated Property | |
| ΔfG° | -252.43 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1120.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 104.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.214 | Crippen Calculated Property | |
| McVol | 321.440 | ml/mol | McGowan Calculated Property |
| Pc | 724.83 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2633.00; 2633.00] |
|
|
| Inp | 2633.00 | NIST | |
| Inp | 2633.00 | NIST | |
| Tboil | 678.27 | K | Relay (1.0) Calculated Property |
| Tc | 912.60 | K | Relay (1.0) Calculated Property |
| Tfus | 364.32 | K | Relay (1.0) Calculated Property |
| Vc | 1.174 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pipecolylpipecolic acid, N-isobutoxycarbonyl-, 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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