- InChI
- InChI=1S/C22H29F4NO3/c1-2-3-4-5-6-7-8-15-30-21(29)18-13-10-14-27(18)20(28)19-16(22(24,25)26)11-9-12-17(19)23/h9,11-12,18H,2-8,10,13-15H2,1H3
- InChI Key
- NIRWLRJOIQIGEF-UHFFFAOYSA-N
- Formula
- C22H29F4NO3
- SMILES
-
CCCCCCCCCOC(=O)C1CCCN1C(=O)c1c
(F)cccc1C(F)(F)F - Molecular Weight1
- 431.46
- 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 | 0.9524 | Relay (... Calculated Property | |
| ΔfG° | -777.09 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1427.13 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 104.14 | kJ/mol | Relay (... Calculated Property |
| IE | 8.95 | eV | Relay (... Calculated Property |
| log10WS | -6.09 | Relay (... Calculated Property | |
| logPoct/wat | 5.743 | Crippen Calculated Property | |
| McVol | 312.290 | ml/mol | McGowan Calculated Property |
| Pc | 822.12 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2644.00; 2644.00] |
|
|
| Inp | 2644.00 | NIST | |
| Inp | 2644.00 | NIST | |
| Tboil | 666.65 | K | Relay (... Calculated Property |
| Tc | 878.73 | K | Relay (... Calculated Property |
| Tfus | 330.04 | K | Relay (... Calculated Property |
| Vc | 1.156 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2-fluoro-6-trifluoromethylbenzoyl)-, nonyl 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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