- InChI
- InChI=1S/C32H47F6NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-42-30(41)28-19-18-22-39(28)29(40)26-24-25(31(33,34)35)20-21-27(26)32(36,37)38/h20-21,24,28H,2-19,22-23H2,1H3
- InChI Key
- XEYRHMXADJUNTL-UHFFFAOYSA-N
- Formula
- C32H47F6NO3
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C1CCCN
1C(=O)c1cc(C(F)(F)F)ccc1C(F)(F )F - Molecular Weight1
- 607.71
- Other Names
-
- L-Proline, N-(2,5-ditrifluoromethylbenzoyl)-, octadecyl ester
- 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).
- 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 | 1.3368 | Relay (1.0) Calculated Property | |
| ΔfG° | -1007.81 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -2061.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 143.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.133 | Crippen Calculated Property | |
| McVol | 456.730 | ml/mol | McGowan Calculated Property |
| Inp | [3381.00; 3381.00] |
|
|
| Inp | 3381.00 | NIST | |
| Inp | 3381.00 | NIST | |
| Tboil | 740.83 | K | Relay (1.0) Calculated Property |
| Tc | 959.74 | K | Relay (1.0) Calculated Property |
| Tfus | 374.44 | K | Relay (1.0) Calculated Property |
| Vc | 1.720 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2,5-ditrifluoromethylbenzoyl)-, octyl 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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