- InChI
- InChI=1S/C28H41F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-36-27(35)24-19-16-20-33(24)26(34)25-22(28(30,31)32)17-15-18-23(25)29/h15,17-18,24H,2-14,16,19-21H2,1H3
- InChI Key
- QEGJWHZQJLZJQE-UHFFFAOYSA-N
- Formula
- C28H41F4NO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C1CCCN1C(
=O)c1c(F)cccc1C(F)(F)F - Molecular Weight1
- 515.62
- 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 | 1.1782 | Relay (... Calculated Property | |
| ΔfG° | -711.81 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1542.99 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 128.36 | kJ/mol | Relay (... Calculated Property |
| IE | 9.14 | eV | Relay (... Calculated Property |
| log10WS | -7.76 | Relay (... Calculated Property | |
| logPoct/wat | 8.084 | Crippen Calculated Property | |
| McVol | 396.830 | ml/mol | McGowan Calculated Property |
| Pc | 306.42 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3272.00; 3272.00] |
|
|
| Inp | 3272.00 | NIST | |
| Inp | 3272.00 | NIST | |
| Tboil | 710.17 | K | Relay (... Calculated Property |
| Tc | 925.14 | K | Relay (... Calculated Property |
| Tfus | 338.82 | K | Relay (... Calculated Property |
| Vc | 1.478 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2-fluoro-6-trifluoromethylbenzoyl)-, pentadecyl 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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