- InChI
- InChI=1S/C28H44FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-33-28(32)26-20-17-21-30(26)27(31)24-18-16-19-25(29)23-24/h16,18-19,23,26H,2-15,17,20-22H2,1H3
- InChI Key
- PCJAHXKWIHOMIG-UHFFFAOYSA-N
- Formula
- C28H44FNO3
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C1CCCN1C
(=O)c1cccc(F)c1 - Molecular Weight1
- 461.65
- 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 | 1.1694 | Relay (1.0) Calculated Property | |
| ΔfG° | -156.35 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -953.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 136.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.455 | Crippen Calculated Property | |
| McVol | 391.520 | ml/mol | McGowan Calculated Property |
| Pc | 543.38 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3466.00; 3466.00] |
|
|
| Inp | 3466.00 | NIST | |
| Inp | 3466.00 | NIST | |
| Tboil | 714.22 | K | Relay (1.0) Calculated Property |
| Tc | 934.57 | K | Relay (1.0) Calculated Property |
| Tfus | 325.42 | K | Relay (1.0) Calculated Property |
| Vc | 1.456 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(3-fluorobenzoyl)-, 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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