- InChI
- InChI=1S/C15H16F3NO3/c1-2-22-14(21)12-8-5-9-19(12)13(20)10-6-3-4-7-11(10)15(16,17)18/h3-4,6-7,12H,2,5,8-9H2,1H3
- InChI Key
- FPJALEMHARAFHK-UHFFFAOYSA-N
- Formula
- C15H16F3NO3
- SMILES
-
CCOC(=O)C1CCCN1C(=O)c1ccccc1C(
F)(F)F - Molecular Weight1
- 315.29
- 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 | 0.6350 | Relay (1.0) Calculated Property | |
| ΔfG° | -686.43 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1103.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 85.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.873 | Crippen Calculated Property | |
| McVol | 211.890 | ml/mol | McGowan Calculated Property |
| Pc | 1467.67 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1957.00; 1957.00] |
|
|
| Inp | 1957.00 | NIST | |
| Inp | 1957.00 | NIST | |
| Tboil | 609.53 | K | Relay (1.0) Calculated Property |
| Tc | 821.34 | K | Relay (1.0) Calculated Property |
| Tfus | 334.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.771 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2-trifluoromethylbenzoyl)-, ethyl 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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