- InChI
- InChI=1S/C17H28N2O5/c1-3-23-16(21)14-10-6-7-11-18(14)15(20)13-9-5-8-12-19(13)17(22)24-4-2/h13-14H,3-12H2,1-2H3
- InChI Key
- YAOOBWQFMDIAOS-UHFFFAOYSA-N
- Formula
- C17H28N2O5
- SMILES
-
CCOC(=O)C1CCCCN1C(=O)C1CCCCN1C
(=O)OCC - Molecular Weight1
- 340.41
- 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 | 0.7657 | Relay (1.0) Calculated Property | |
| ΔfG° | -271.96 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -999.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 104.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.942 | Crippen Calculated Property | |
| McVol | 265.080 | ml/mol | McGowan Calculated Property |
| Pc | 1172.89 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2390.00; 2390.00] |
|
|
| Inp | 2390.00 | NIST | |
| Inp | 2390.00 | NIST | |
| Tboil | 646.69 | K | Relay (1.0) Calculated Property |
| Tc | 889.66 | K | Relay (1.0) Calculated Property |
| Tfus | 365.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.963 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pipecolylpipecolic 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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