- InChI
- InChI=1S/C25H47NO3/c1-3-5-7-9-10-11-12-13-15-17-22-29-25(28)23-19-18-21-26(23)24(27)20-16-14-8-6-4-2/h23H,3-22H2,1-2H3
- InChI Key
- GTJZHSSAHUXOSW-UHFFFAOYSA-N
- Formula
- C25H47NO3
- SMILES
-
CCCCCCCCCCCCOC(=O)C1CCCN1C(=O)
CCCCCCC - Molecular Weight1
- 409.65
- 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 | 1.1117 | Relay (... Calculated Property | |
| ΔfG° | -130.55 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -923.29 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 120.18 | kJ/mol | Relay (... Calculated Property |
| IE | 8.88 | eV | Relay (... Calculated Property |
| log10WS | -5.97 | Relay (... Calculated Property | |
| logPoct/wat | 6.802 | Crippen Calculated Property | |
| McVol | 371.240 | ml/mol | McGowan Calculated Property |
| Pc | 670.53 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3031.00; 3031.00] |
|
|
| Inp | 3031.00 | NIST | |
| Inp | 3031.00 | NIST | |
| Tboil | 662.13 | K | Relay (... Calculated Property |
| Tc | 878.70 | K | Relay (... Calculated Property |
| Tfus | 328.42 | K | Relay (... Calculated Property |
| Vc | 1.397 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-octanoyl-, dodecyl 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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