- InChI
- InChI=1S/C23H37N3O6/c1-3-31-22(29)19-13-7-9-15-25(19)20(27)17-11-5-8-14-24(17)21(28)18-12-6-10-16-26(18)23(30)32-4-2/h17-19H,3-16H2,1-2H3
- InChI Key
- YCHSEONDDSZZSN-UHFFFAOYSA-N
- Formula
- C23H37N3O6
- SMILES
-
CCOC(=O)C1CCCCN1C(=O)C1CCCCN1C
(=O)C1CCCCN1C(=O)OCC - Molecular Weight1
- 451.56
- 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 | 0.9272 | Relay (1.0) Calculated Property | |
| ΔfG° | -236.16 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1206.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 126.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.323 | Crippen Calculated Property | |
| McVol | 350.310 | ml/mol | McGowan Calculated Property |
| Pc | 365.73 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3234.00; 3234.00] |
|
|
| Inp | 3234.00 | NIST | |
| Inp | 3234.00 | NIST | |
| Tboil | 714.61 | K | Relay (1.0) Calculated Property |
| Tc | 1001.91 | K | Relay (1.0) Calculated Property |
| Tfus | 385.00 | K | Relay (1.0) Calculated Property |
| Vc | 1.268 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pipecolylpipecolylpipecolic acid, N-ethoxycarbonyl-, ethyl 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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