- InChI
- InChI=1S/C22H30F3NO3/c1-2-3-4-5-6-7-8-15-29-21(28)19-13-10-14-26(19)20(27)17-11-9-12-18(16-17)22(23,24)25/h9,11-12,16,19H,2-8,10,13-15H2,1H3
- InChI Key
- VPSNCVZCDJZTFT-UHFFFAOYSA-N
- Formula
- C22H30F3NO3
- SMILES
-
CCCCCCCCCOC(=O)C1CCCN1C(=O)c1c
ccc(C(F)(F)F)c1 - Molecular Weight1
- 413.47
- 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 | 0.9388 | Relay (1.0) Calculated Property | |
| ΔfG° | -613.06 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1254.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 106.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.604 | Crippen Calculated Property | |
| McVol | 310.520 | ml/mol | McGowan Calculated Property |
| Pc | 795.07 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2626.00; 2626.00] |
|
|
| Inp | 2626.00 | NIST | |
| Inp | 2626.00 | NIST | |
| Tboil | 676.04 | K | Relay (1.0) Calculated Property |
| Tc | 886.16 | K | Relay (1.0) Calculated Property |
| Tfus | 336.71 | K | Relay (1.0) Calculated Property |
| Vc | 1.147 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(3-trifluoromethylbenzoyl)-, nonyl 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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