- InChI
- InChI=1S/C19H23F4NO3/c1-2-3-4-12-27-18(26)13-8-10-24(11-9-13)17(25)14-6-5-7-15(16(14)20)19(21,22)23/h5-7,13H,2-4,8-12H2,1H3
- InChI Key
- COXRAMXAVGLTQM-UHFFFAOYSA-N
- Formula
- C19H23F4NO3
- SMILES
-
CCCCCOC(=O)C1CCN(C(=O)c2cccc(C
(F)(F)F)c2F)CC1 - Molecular Weight1
- 389.38
- 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 | 0.8216 | Relay (... Calculated Property | |
| ΔfG° | -808.94 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1367.97 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 90.09 | kJ/mol | Relay (... Calculated Property |
| IE | 9.10 | eV | Relay (... Calculated Property |
| log10WS | -4.95 | Relay (... Calculated Property | |
| logPoct/wat | 4.430 | Crippen Calculated Property | |
| McVol | 270.020 | ml/mol | McGowan Calculated Property |
| Pc | 1071.28 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2434.00; 2434.00] |
|
|
| Inp | 2434.00 | NIST | |
| Inp | 2434.00 | NIST | |
| Tboil | 657.27 | K | Relay (... Calculated Property |
| Tc | 852.87 | K | Relay (... Calculated Property |
| Tfus | 344.32 | K | Relay (... Calculated Property |
| Vc | 0.987 | m3/kmol | Relay (... 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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