- InChI
- InChI=1S/C27H40F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-34-27(33)23-16-15-19-31(23)26(32)21-17-18-22(28)25(30)24(21)29/h17-18,23H,2-16,19-20H2,1H3
- InChI Key
- KSTKQICOJCOXPT-UHFFFAOYSA-N
- Formula
- C27H40F3NO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C1CCCN1C(
=O)c1ccc(F)c(F)c1F - Molecular Weight1
- 483.61
- 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 | 1.1693 | Relay (... Calculated Property | |
| ΔfG° | -476.08 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1235.42 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 130.77 | kJ/mol | Relay (... Calculated Property |
| IE | 9.07 | eV | Relay (... Calculated Property |
| log10WS | -7.74 | Relay (... Calculated Property | |
| logPoct/wat | 7.343 | Crippen Calculated Property | |
| McVol | 380.970 | ml/mol | McGowan Calculated Property |
| Pc | 563.54 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3253.00; 3253.00] |
|
|
| Inp | 3253.00 | NIST | |
| Inp | 3253.00 | NIST | |
| Tboil | 701.67 | K | Relay (... Calculated Property |
| Tc | 913.30 | K | Relay (... Calculated Property |
| Tfus | 335.29 | K | Relay (... Calculated Property |
| Vc | 1.420 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2,3,4-trifluorobenzoyl)-, 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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