- InChI
- InChI=1S/C29H44F3NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-37-29(35)24-18-17-19-33(24)28(34)22-21-23(30)26(32)27(36-2)25(22)31/h21,24H,3-20H2,1-2H3
- InChI Key
- HQFVTPMGFPAKHB-UHFFFAOYSA-N
- Formula
- C29H44F3NO4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C1CCCN1C
(=O)c1cc(F)c(F)c(OC)c1F - Molecular Weight1
- 527.66
- 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 | 1.2796 | Relay (... Calculated Property | |
| ΔfG° | -560.79 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1361.83 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 137.65 | kJ/mol | Relay (... Calculated Property |
| IE | 8.90 | eV | Relay (... Calculated Property |
| log10WS | -7.93 | Relay (... Calculated Property | |
| logPoct/wat | 7.742 | Crippen Calculated Property | |
| McVol | 415.020 | ml/mol | McGowan Calculated Property |
| Pc | 307.79 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3545.00; 3545.00] |
|
|
| Inp | 3545.00 | NIST | |
| Inp | 3545.00 | NIST | |
| Tboil | 718.86 | K | Relay (... Calculated Property |
| Tc | 942.49 | K | Relay (... Calculated Property |
| Tfus | 363.27 | K | Relay (... Calculated Property |
| Vc | 1.552 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, hexadecyl 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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