- InChI
- InChI=1S/C15H11F4NO/c1-9-4-2-5-10(8-9)20-14(21)13-11(15(17,18)19)6-3-7-12(13)16/h2-8H,1H3,(H,20,21)
- InChI Key
- IONFLQOKCIJWDI-UHFFFAOYSA-N
- Formula
- C15H11F4NO
- SMILES
-
Cc1cccc(N=C(O)c2c(F)cccc2C(F)(
F)F)c1 - Molecular Weight1
- 297.25
- 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 | 0.7733 | Relay (1.0) Calculated Property | |
| ΔfG° | -579.28 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -830.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 96.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.789 | Crippen Calculated Property | |
| McVol | 193.320 | ml/mol | McGowan Calculated Property |
| Pc | 2047.46 | kPa | Joback Calculated Property |
| Inp | [1986.00; 1986.00] |
|
|
| Inp | 1986.00 | NIST | |
| Inp | 1986.00 | NIST | |
| Tboil | 605.95 | K | Relay (1.0) Calculated Property |
| Tc | 853.24 | K | Relay (1.0) Calculated Property |
| Tfus | 390.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.689 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluoro-6-trifluoromethylbenzamide, N-(3-methylphenyl)-.
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
- Joback Method
- McGowan Method
- NIST Webbook
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