- InChI
- InChI=1S/C14H7ClF5NO/c15-11-6-8(2-4-12(11)17)21-13(22)9-5-7(16)1-3-10(9)14(18,19)20/h1-6H,(H,21,22)
- InChI Key
- IADAFGFQVVVBON-UHFFFAOYSA-N
- Formula
- C14H7ClF5NO
- SMILES
-
O=C(Nc1ccc(F)c(Cl)c1)c1cc(F)cc
c1C(F)(F)F - Molecular Weight1
- 335.66
- 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° | -769.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -969.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.14 | kJ/mol | Joback Calculated Property |
| log10WS | -5.90 | Crippen Calculated Property | |
| logPoct/wat | 4.889 | Crippen Calculated Property | |
| McVol | 193.240 | ml/mol | McGowan Calculated Property |
| Pc | 2210.37 | kPa | Joback Calculated Property |
| Inp | 2056.00 | NIST | |
| Tboil | 727.59 | K | Joback Calculated Property |
| Tc | 940.24 | K | Joback Calculated Property |
| Tfus | 488.34 | K | Joback Calculated Property |
| Vc | 0.772 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [502.53; 553.30] | J/mol×K | [727.59; 940.24] | 
|
| Cp,gas | 502.53 | J/mol×K | 727.59 | Joback Calculated Property |
| Cp,gas | 512.93 | J/mol×K | 763.03 | Joback Calculated Property |
| Cp,gas | 522.47 | J/mol×K | 798.47 | Joback Calculated Property |
| Cp,gas | 531.23 | J/mol×K | 833.92 | Joback Calculated Property |
| Cp,gas | 539.24 | J/mol×K | 869.36 | Joback Calculated Property |
| Cp,gas | 546.58 | J/mol×K | 904.80 | Joback Calculated Property |
| Cp,gas | 553.30 | J/mol×K | 940.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoro-6-trifluoromethylbenzamide, N-(3-chloro-4-fluorophenyl)-.
Sources
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