- InChI
- InChI=1S/C23H32F3NO3/c1-2-3-4-5-6-7-8-11-17-30-22(29)20-15-12-16-27(20)21(28)18-13-9-10-14-19(18)23(24,25)26/h9-10,13-14,20H,2-8,11-12,15-17H2,1H3
- InChI Key
- FXQPADZRYZPKCG-UHFFFAOYSA-N
- Formula
- C23H32F3NO3
- SMILES
-
CCCCCCCCCCOC(=O)C1CCCN1C(=O)c1
ccccc1C(F)(F)F - Molecular Weight1
- 427.50
- 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 | 0.9763 | Relay (1.0) Calculated Property | |
| ΔfG° | -603.70 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1267.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 108.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.994 | Crippen Calculated Property | |
| McVol | 324.610 | ml/mol | McGowan Calculated Property |
| Pc | 734.12 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2744.00; 2744.00] |
|
|
| Inp | 2744.00 | NIST | |
| Inp | 2744.00 | NIST | |
| Tboil | 680.62 | K | Relay (1.0) Calculated Property |
| Tc | 890.21 | K | Relay (1.0) Calculated Property |
| Tfus | 326.52 | K | Relay (1.0) Calculated Property |
| Vc | 1.202 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2-trifluoromethylbenzoyl)-, decyl 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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