- InChI
- InChI=1S/C24H33F4NO3/c1-2-3-4-5-6-7-8-9-10-17-32-23(31)20-15-12-16-29(20)22(30)21-18(24(26,27)28)13-11-14-19(21)25/h11,13-14,20H,2-10,12,15-17H2,1H3
- InChI Key
- KXJGIAHBUGGKGX-UHFFFAOYSA-N
- Formula
- C24H33F4NO3
- SMILES
-
CCCCCCCCCCCOC(=O)C1CCCN1C(=O)c
1c(F)cccc1C(F)(F)F - Molecular Weight1
- 459.52
- 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 | 1.0293 | Relay (... Calculated Property | |
| ΔfG° | -754.94 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1465.91 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 112.29 | kJ/mol | Relay (... Calculated Property |
| IE | 9.00 | eV | Relay (... Calculated Property |
| log10WS | -6.67 | Relay (... Calculated Property | |
| logPoct/wat | 6.523 | Crippen Calculated Property | |
| McVol | 340.470 | ml/mol | McGowan Calculated Property |
| Pc | 646.27 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2840.00; 2840.00] |
|
|
| Inp | 2840.00 | NIST | |
| Inp | 2840.00 | NIST | |
| Tboil | 681.73 | K | Relay (... Calculated Property |
| Tc | 894.63 | K | Relay (... Calculated Property |
| Tfus | 332.66 | K | Relay (... Calculated Property |
| Vc | 1.264 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2-fluoro-6-trifluoromethylbenzoyl)-, 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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