- InChI
- InChI=1S/C20H26F3NO3/c1-2-3-4-5-8-14-27-19(26)17-12-9-13-24(17)18(25)15-10-6-7-11-16(15)20(21,22)23/h6-7,10-11,17H,2-5,8-9,12-14H2,1H3
- InChI Key
- BBWPBWPDOIKFDB-UHFFFAOYSA-N
- Formula
- C20H26F3NO3
- SMILES
-
CCCCCCCOC(=O)C1CCCN1C(=O)c1ccc
cc1C(F)(F)F - Molecular Weight1
- 385.42
- 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 | 0.8565 | Relay (1.0) Calculated Property | |
| ΔfG° | -636.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1207.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 96.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.824 | Crippen Calculated Property | |
| McVol | 282.340 | ml/mol | McGowan Calculated Property |
| Pc | 1009.57 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2439.00; 2439.00] |
|
|
| Inp | 2439.00 | NIST | |
| Inp | 2439.00 | NIST | |
| Tboil | 657.84 | K | Relay (1.0) Calculated Property |
| Tc | 865.55 | K | Relay (1.0) Calculated Property |
| Tfus | 323.34 | K | Relay (1.0) Calculated Property |
| Vc | 1.038 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2-trifluoromethylbenzoyl)-, heptyl 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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