- InChI
- InChI=1S/C24H34F3NO3/c1-2-3-4-5-6-7-8-9-10-11-17-31-24(30)20-13-12-16-28(20)23(29)18-14-15-19(25)22(27)21(18)26/h14-15,20H,2-13,16-17H2,1H3
- InChI Key
- OJFKEQKZJAYBOF-UHFFFAOYSA-N
- Formula
- C24H34F3NO3
- SMILES
-
CCCCCCCCCCCCOC(=O)C1CCCN1C(=O)
c1ccc(F)c(F)c1F - Molecular Weight1
- 441.53
- 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 | 1.0590 | Relay (... Calculated Property | |
| ΔfG° | -505.70 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1173.03 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 119.06 | kJ/mol | Relay (... Calculated Property |
| IE | 8.97 | eV | Relay (... Calculated Property |
| log10WS | -6.94 | Relay (... Calculated Property | |
| logPoct/wat | 6.173 | Crippen Calculated Property | |
| McVol | 338.700 | ml/mol | McGowan Calculated Property |
| Pc | 822.71 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2928.00; 2928.00] |
|
|
| Inp | 2928.00 | NIST | |
| Inp | 2928.00 | NIST | |
| Tboil | 681.12 | K | Relay (... Calculated Property |
| Tc | 891.99 | K | Relay (... Calculated Property |
| Tfus | 328.80 | K | Relay (... Calculated Property |
| Vc | 1.259 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2,3,4-trifluorobenzoyl)-, dodecyl 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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