- InChI
- InChI=1S/C19H24F3NO4/c1-11(2)6-5-9-27-19(25)14-7-4-8-23(14)18(24)12-10-13(20)16(22)17(26-3)15(12)21/h10-11,14H,4-9H2,1-3H3
- InChI Key
- VLEHHFXRUAJBMH-UHFFFAOYSA-N
- Formula
- C19H24F3NO4
- SMILES
-
COc1c(F)c(F)cc(C(=O)N2CCCC2C(=
O)OCCCC(C)C)c1F - Molecular Weight1
- 387.39
- 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 | 0.8635 | Relay (... Calculated Property | |
| ΔfG° | -674.62 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1177.91 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 96.67 | kJ/mol | Relay (... Calculated Property |
| IE | 8.75 | eV | Relay (... Calculated Property |
| log10WS | -4.93 | Relay (... Calculated Property | |
| logPoct/wat | 3.696 | Crippen Calculated Property | |
| McVol | 274.120 | ml/mol | McGowan Calculated Property |
| Pc | 1128.40 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2447.00; 2447.00] |
|
|
| Inp | 2447.00 | NIST | |
| Inp | 2447.00 | NIST | |
| Tboil | 648.00 | K | Relay (... Calculated Property |
| Tc | 866.58 | K | Relay (... Calculated Property |
| Tfus | 358.49 | K | Relay (... Calculated Property |
| Vc | 1.006 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, isohexyl 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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