- InChI
- InChI=1S/C21H39NO4/c1-3-5-7-9-10-14-18-26-21(24)22-16-12-11-15-19(22)20(23)25-17-13-8-6-4-2/h19H,3-18H2,1-2H3
- InChI Key
- ORQOTBLGSQXNHL-UHFFFAOYSA-N
- Formula
- C21H39NO4
- SMILES
-
CCCCCCCCOC(=O)N1CCCCC1C(=O)OCC
CCCC - Molecular Weight1
- 369.54
- 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 | 0.9960 | Relay (1.0) Calculated Property | |
| ΔfG° | -239.94 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1006.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 107.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.462 | Crippen Calculated Property | |
| McVol | 320.750 | ml/mol | McGowan Calculated Property |
| Pc | 1054.45 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2539.00; 2539.00] |
|
|
| Inp | 2539.00 | NIST | |
| Inp | 2539.00 | NIST | |
| Tboil | 648.18 | K | Relay (1.0) Calculated Property |
| Tc | 852.02 | K | Relay (1.0) Calculated Property |
| Tfus | 304.00 | K | Relay (1.0) Calculated Property |
| Vc | 1.198 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pipecolic acid, N-octyloxycarbonyl-, hexyl 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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