- InChI
- InChI=1S/C19H23F4NO3/c1-2-3-4-5-11-27-18(26)16-7-6-10-24(16)17(25)14-12-13(20)8-9-15(14)19(21,22)23/h8-9,12,16H,2-7,10-11H2,1H3
- InChI Key
- XPZIGPMNDYPMAF-UHFFFAOYSA-N
- Formula
- C19H23F4NO3
- SMILES
-
CCCCCCOC(=O)C1CCCN1C(=O)c1cc(F
)ccc1C(F)(F)F - Molecular Weight1
- 389.38
- 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 | 0.8356 | Relay (1.0) Calculated Property | |
| ΔfG° | -811.02 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1390.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.573 | Crippen Calculated Property | |
| McVol | 270.020 | ml/mol | McGowan Calculated Property |
| Pc | 1103.00 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2248.00; 2248.00] |
|
|
| Inp | 2248.00 | NIST | |
| Inp | 2248.00 | NIST | |
| Tboil | 647.69 | K | Relay (1.0) Calculated Property |
| Tc | 849.17 | K | Relay (1.0) Calculated Property |
| Tfus | 325.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.994 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(5-fluoro-2-trifluoromethylbenzoyl)-, hexyl 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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