- InChI
- InChI=1S/C28H43F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-34-28(33)26-17-16-20-31(26)27(32)23-18-19-24(29)25(30)22-23/h18-19,22,26H,2-17,20-21H2,1H3
- InChI Key
- ATAVCKHDSCERIR-UHFFFAOYSA-N
- Formula
- C28H43F2NO3
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C1CCCN1C
(=O)c1ccc(F)c(F)c1 - Molecular Weight1
- 479.64
- 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 | 1.1915 | Relay (1.0) Calculated Property | |
| ΔfG° | -299.78 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1108.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 137.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.594 | Crippen Calculated Property | |
| McVol | 393.290 | ml/mol | McGowan Calculated Property |
| Pc | 533.22 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3436.00; 3436.00] |
|
|
| Inp | 3436.00 | NIST | |
| Inp | 3436.00 | NIST | |
| Tboil | 711.61 | K | Relay (1.0) Calculated Property |
| Tc | 926.16 | K | Relay (1.0) Calculated Property |
| Tfus | 333.61 | K | Relay (1.0) Calculated Property |
| Vc | 1.465 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(3,4-difluorobenzoyl)-, 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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