- InChI
- InChI=1S/C14H8F5NO/c15-8-4-6-9(7-5-8)20-13(21)12-10(14(17,18)19)2-1-3-11(12)16/h1-7H,(H,20,21)
- InChI Key
- LLSVKGMYXHFRLQ-UHFFFAOYSA-N
- Formula
- C14H8F5NO
- SMILES
-
O=C(Nc1ccc(F)cc1)c1c(F)cccc1C(
F)(F)F - Molecular Weight1
- 301.21
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | -747.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -942.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.10 | kJ/mol | Joback Calculated Property |
| log10WS | -5.21 | Crippen Calculated Property | |
| logPoct/wat | 4.236 | Crippen Calculated Property | |
| McVol | 181.000 | ml/mol | McGowan Calculated Property |
| Pc | 2322.54 | kPa | Joback Calculated Property |
| Inp | 1885.00 | NIST | |
| Tboil | 685.18 | K | Joback Calculated Property |
| Tc | 893.70 | K | Joback Calculated Property |
| Tfus | 445.90 | K | Joback Calculated Property |
| Vc | 0.724 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [481.02; 538.36] | J/mol×K | [685.18; 893.70] | 
|
| Cp,gas | 481.02 | J/mol×K | 685.18 | Joback Calculated Property |
| Cp,gas | 492.67 | J/mol×K | 719.93 | Joback Calculated Property |
| Cp,gas | 503.41 | J/mol×K | 754.69 | Joback Calculated Property |
| Cp,gas | 513.29 | J/mol×K | 789.44 | Joback Calculated Property |
| Cp,gas | 522.37 | J/mol×K | 824.20 | Joback Calculated Property |
| Cp,gas | 530.70 | J/mol×K | 858.95 | Joback Calculated Property |
| Cp,gas | 538.36 | J/mol×K | 893.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluoro-6-trifluoromethylbenzamide, N-(4-fluorophenyl)-.
Sources
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