- InChI
- InChI=1S/C19H21F6NO3/c1-2-3-4-10-29-17(28)15-6-5-9-26(15)16(27)13-11-12(18(20,21)22)7-8-14(13)19(23,24)25/h7-8,11,15H,2-6,9-10H2,1H3
- InChI Key
- ZDOVHVMRNXBEND-UHFFFAOYSA-N
- Formula
- C19H21F6NO3
- SMILES
-
CCCCCOC(=O)C1CCCN1C(=O)c1cc(C(
F)(F)F)ccc1C(F)(F)F - Molecular Weight1
- 425.37
- 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 | 0.8428 | Relay (1.0) Calculated Property | |
| ΔfG° | -1146.85 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1812.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 92.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.062 | Crippen Calculated Property | |
| McVol | 273.560 | ml/mol | McGowan Calculated Property |
| Pc | 908.18 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2065.00; 2065.00] |
|
|
| Inp | 2065.00 | NIST | |
| Inp | 2065.00 | NIST | |
| Tboil | 637.49 | K | Relay (1.0) Calculated Property |
| Tc | 857.94 | K | Relay (1.0) Calculated Property |
| Tfus | 363.18 | K | Relay (1.0) Calculated Property |
| Vc | 1.024 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2,5-ditrifluoromethylbenzoyl)-, pentyl 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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