- InChI
- InChI=1S/C16H18F3NO4/c1-3-7-24-16(22)11-5-4-6-20(11)15(21)9-8-10(17)13(19)14(23-2)12(9)18/h8,11H,3-7H2,1-2H3
- InChI Key
- LEXKVBDQFMKFPR-UHFFFAOYSA-N
- Formula
- C16H18F3NO4
- SMILES
-
CCCOC(=O)C1CCCN1C(=O)c1cc(F)c(
F)c(OC)c1F - Molecular Weight1
- 345.31
- 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 | 0.7801 | Relay (... Calculated Property | |
| ΔfG° | -703.10 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1098.53 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 88.58 | kJ/mol | Relay (... Calculated Property |
| IE | 8.76 | eV | Relay (... Calculated Property |
| log10WS | -3.91 | Relay (... Calculated Property | |
| logPoct/wat | 2.670 | Crippen Calculated Property | |
| McVol | 231.850 | ml/mol | McGowan Calculated Property |
| Pc | 1486.17 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2212.00; 2212.00] |
|
|
| Inp | 2212.00 | NIST | |
| Inp | 2212.00 | NIST | |
| Tboil | 624.78 | K | Relay (... Calculated Property |
| Tc | 841.36 | K | Relay (... Calculated Property |
| Tfus | 350.89 | K | Relay (... Calculated Property |
| Vc | 0.856 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, propyl 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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