- InChI
- InChI=1S/C28H42F3NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-36-28(34)23-17-16-18-32(23)27(33)21-20-22(29)25(31)26(35-2)24(21)30/h20,23H,3-19H2,1-2H3
- InChI Key
- LMTUFNLXXNROMG-UHFFFAOYSA-N
- Formula
- C28H42F3NO4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C1CCCN1C(
=O)c1cc(F)c(F)c(OC)c1F - Molecular Weight1
- 513.63
- 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 | 1.2435 | Relay (... Calculated Property | |
| ΔfG° | -570.30 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1341.02 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 133.71 | kJ/mol | Relay (... Calculated Property |
| IE | 8.87 | eV | Relay (... Calculated Property |
| log10WS | -7.66 | Relay (... Calculated Property | |
| logPoct/wat | 7.352 | Crippen Calculated Property | |
| McVol | 400.930 | ml/mol | McGowan Calculated Property |
| Pc | 390.11 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3440.00; 3440.00] |
|
|
| Inp | 3440.00 | NIST | |
| Inp | 3440.00 | NIST | |
| Tboil | 712.17 | K | Relay (... Calculated Property |
| Tc | 936.20 | K | Relay (... Calculated Property |
| Tfus | 361.64 | K | Relay (... Calculated Property |
| Vc | 1.499 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, 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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