- InChI
- InChI=1S/C19H24F3NO3/c1-13(2)6-5-11-26-18(25)16-9-4-10-23(16)17(24)14-7-3-8-15(12-14)19(20,21)22/h3,7-8,12-13,16H,4-6,9-11H2,1-2H3
- InChI Key
- VJNBKZGLZGQDFP-UHFFFAOYSA-N
- Formula
- C19H24F3NO3
- SMILES
-
CC(C)CCCOC(=O)C1CCCN1C(=O)c1cc
cc(C(F)(F)F)c1 - Molecular Weight1
- 371.39
- 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 | 0.7806 | Relay (1.0) Calculated Property | |
| ΔfG° | -649.66 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1217.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 94.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.289 | Crippen Calculated Property | |
| McVol | 268.250 | ml/mol | McGowan Calculated Property |
| Pc | 1055.12 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2280.00; 2280.00] |
|
|
| Inp | 2280.00 | NIST | |
| Inp | 2280.00 | NIST | |
| Tboil | 652.24 | K | Relay (1.0) Calculated Property |
| Tc | 859.49 | K | Relay (1.0) Calculated Property |
| Tfus | 351.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.976 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(3-trifluoromethylbenzoyl)-, 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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