- InChI
- InChI=1S/C25H39NO3/c1-2-3-4-5-6-7-8-9-13-21-29-25(28)23-17-14-20-26(23)24(27)19-18-22-15-11-10-12-16-22/h10-12,15-16,23H,2-9,13-14,17-21H2,1H3
- InChI Key
- DBUFRBPFHMMVFU-UHFFFAOYSA-N
- Formula
- C25H39NO3
- SMILES
-
CCCCCCCCCCCOC(=O)C1CCCN1C(=O)C
Cc1ccccc1 - Molecular Weight1
- 401.58
- 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 | 1.0359 | Relay (1.0) Calculated Property | |
| ΔfG° | -23.99 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -676.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 123.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.684 | Crippen Calculated Property | |
| McVol | 347.480 | ml/mol | McGowan Calculated Property |
| Pc | 860.53 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3179.00; 3179.00] |
|
|
| Inp | 3179.00 | NIST | |
| Inp | 3179.00 | NIST | |
| Tboil | 689.12 | K | Relay (1.0) Calculated Property |
| Tc | 920.47 | K | Relay (1.0) Calculated Property |
| Tfus | 321.93 | K | Relay (1.0) Calculated Property |
| Vc | 1.282 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(3-phenylpropionyl)-, undecyl 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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