- InChI
- InChI=1S/C20H25F4NO3/c1-13(2)4-3-11-28-19(27)14-7-9-25(10-8-14)18(26)16-12-15(20(22,23)24)5-6-17(16)21/h5-6,12-14H,3-4,7-11H2,1-2H3
- InChI Key
- RWVFXANBPLCCRO-UHFFFAOYSA-N
- Formula
- C20H25F4NO3
- SMILES
-
CC(C)CCCOC(=O)C1CCN(C(=O)c2cc(
C(F)(F)F)ccc2F)CC1 - Molecular Weight1
- 403.41
- 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 | 0.8266 | Relay (1.0) Calculated Property | |
| ΔfG° | -793.79 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1423.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 92.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.676 | Crippen Calculated Property | |
| McVol | 284.110 | ml/mol | McGowan Calculated Property |
| Pc | 922.50 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2447.00 | NIST | |
| Tboil | 662.87 | K | Relay (1.0) Calculated Property |
| Tc | 870.71 | K | Relay (1.0) Calculated Property |
| Tfus | 380.19 | K | Relay (1.0) Calculated Property |
| Vc | 1.033 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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