- InChI
- InChI=1S/C21H29F2NO3/c1-2-3-4-5-6-7-8-14-27-21(26)19-10-9-13-24(19)20(25)17-12-11-16(22)15-18(17)23/h11-12,15,19H,2-10,13-14H2,1H3
- InChI Key
- OGBQRCZBIXXFAS-UHFFFAOYSA-N
- Formula
- C21H29F2NO3
- SMILES
-
CCCCCCCCCOC(=O)C1CCCN1C(=O)c1c
cc(F)cc1F - Molecular Weight1
- 381.46
- 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 | 0.9292 | Relay (... Calculated Property | |
| ΔfG° | -380.61 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -973.67 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 107.75 | kJ/mol | Relay (... Calculated Property |
| IE | 8.84 | eV | Relay (... Calculated Property |
| log10WS | -5.78 | Relay (... Calculated Property | |
| logPoct/wat | 4.863 | Crippen Calculated Property | |
| McVol | 294.660 | ml/mol | McGowan Calculated Property |
| Pc | 1152.61 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2634.00; 2634.00] |
|
|
| Inp | 2634.00 | NIST | |
| Inp | 2634.00 | NIST | |
| Tboil | 664.48 | K | Relay (... Calculated Property |
| Tc | 882.08 | K | Relay (... Calculated Property |
| Tfus | 327.26 | K | Relay (... Calculated Property |
| Vc | 1.092 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2,4-difluorobenzoyl)-, nonyl 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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