- InChI
- InChI=1S/C22H30F3NO4/c1-3-4-5-6-7-8-9-13-30-22(28)17-11-10-12-26(17)21(27)15-14-16(23)19(25)20(29-2)18(15)24/h14,17H,3-13H2,1-2H3
- InChI Key
- NIRYNFPSMLNPGY-UHFFFAOYSA-N
- Formula
- C22H30F3NO4
- SMILES
-
CCCCCCCCCOC(=O)C1CCCN1C(=O)c1c
c(F)c(F)c(OC)c1F - Molecular Weight1
- 429.47
- 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 | 1.0214 | Relay (... Calculated Property | |
| ΔfG° | -636.06 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1219.06 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 109.71 | kJ/mol | Relay (... Calculated Property |
| IE | 8.71 | eV | Relay (... Calculated Property |
| log10WS | -5.98 | Relay (... Calculated Property | |
| logPoct/wat | 5.011 | Crippen Calculated Property | |
| McVol | 316.390 | ml/mol | McGowan Calculated Property |
| Pc | 907.84 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2799.00; 2799.00] |
|
|
| Inp | 2799.00 | NIST | |
| Inp | 2799.00 | NIST | |
| Tboil | 670.84 | K | Relay (... Calculated Property |
| Tc | 894.27 | K | Relay (... Calculated Property |
| Tfus | 353.76 | K | Relay (... Calculated Property |
| Vc | 1.178 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, 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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