- InChI
- InChI=1S/C22H27F6NO3/c1-2-3-4-5-6-7-13-32-20(31)18-9-8-12-29(18)19(30)16-14-15(21(23,24)25)10-11-17(16)22(26,27)28/h10-11,14,18H,2-9,12-13H2,1H3
- InChI Key
- SZZMTKWSRAFGGT-UHFFFAOYSA-N
- Formula
- C22H27F6NO3
- SMILES
-
CCCCCCCCOC(=O)C1CCCN1C(=O)c1cc
(C(F)(F)F)ccc1C(F)(F)F - Molecular Weight1
- 467.45
- 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 | 0.9607 | Relay (1.0) Calculated Property | |
| ΔfG° | -1114.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1869.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 102.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.232 | Crippen Calculated Property | |
| McVol | 315.830 | ml/mol | McGowan Calculated Property |
| Pc | 629.67 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2349.00; 2349.00] |
|
|
| Inp | 2349.00 | NIST | |
| Inp | 2349.00 | NIST | |
| Tboil | 664.77 | K | Relay (1.0) Calculated Property |
| Tc | 884.43 | K | Relay (1.0) Calculated Property |
| Tfus | 363.38 | K | Relay (1.0) Calculated Property |
| Vc | 1.186 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2,5-ditrifluoromethylbenzoyl)-, octyl 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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