- InChI
- InChI=1S/C20H25F4NO3/c1-2-3-4-5-6-12-28-19(27)17-8-7-11-25(17)18(26)14-9-10-15(16(21)13-14)20(22,23)24/h9-10,13,17H,2-8,11-12H2,1H3
- InChI Key
- NAYIMCPFARJDPH-UHFFFAOYSA-N
- Formula
- C20H25F4NO3
- SMILES
-
CCCCCCCOC(=O)C1CCCN1C(=O)c1ccc
(C(F)(F)F)c(F)c1 - Molecular Weight1
- 403.41
- 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 | 0.8831 | Relay (1.0) Calculated Property | |
| ΔfG° | -805.83 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1415.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 98.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.963 | Crippen Calculated Property | |
| McVol | 284.110 | ml/mol | McGowan Calculated Property |
| Pc | 1019.39 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2419.00; 2419.00] |
|
|
| Inp | 2419.00 | NIST | |
| Inp | 2419.00 | NIST | |
| Tboil | 658.48 | K | Relay (1.0) Calculated Property |
| Tc | 851.16 | K | Relay (1.0) Calculated Property |
| Tfus | 329.89 | K | Relay (1.0) Calculated Property |
| Vc | 1.049 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(3-fluoro-4-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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