- InChI
- InChI=1S/C17H24N2O3/c1-3-22-17(21)19-12-8-7-11-15(19)16(20)18-13(2)14-9-5-4-6-10-14/h4-6,9-10,13,15H,3,7-8,11-12H2,1-2H3,(H,18,20)/t13-,15+/m0/s1
- InChI Key
- ZIMZRTQSTJRFHY-DZGCQCFKSA-N
- Formula
- C17H24N2O3
- SMILES
-
CCOC(=O)N1CCCCC1C(=O)NC(C)c1cc
ccc1 - Molecular Weight1
- 304.38
- 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 | 0.6717 | Relay (... Calculated Property | |
| ΔfG° | 7.60 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -536.03 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 108.85 | kJ/mol | Relay (... Calculated Property |
| IE | 8.26 | eV | Relay (... Calculated Property |
| log10WS | -2.81 | Relay (... Calculated Property | |
| logPoct/wat | 2.875 | Crippen Calculated Property | |
| McVol | 244.740 | ml/mol | McGowan Calculated Property |
| Pc | 1585.76 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2263.00; 2263.00] |
|
|
| Inp | 2263.00 | NIST | |
| Inp | 2263.00 | NIST | |
| Tboil | 628.44 | K | Relay (... Calculated Property |
| Tc | 902.04 | K | Relay (... Calculated Property |
| Tfus | 384.28 | K | Relay (... Calculated Property |
| Vc | 0.861 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Pipecolic acid, N-ethoxycarbonyl, (S)-1-phenylethylamide.
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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