- InChI
- InChI=1S/C14H8BrF4NO/c15-8-1-4-10(5-2-8)20-13(21)11-6-3-9(16)7-12(11)14(17,18)19/h1-7H,(H,20,21)
- InChI Key
- YPUPMBSXTWTEMJ-UHFFFAOYSA-N
- Formula
- C14H8BrF4NO
- SMILES
-
O=C(Nc1ccc(Br)cc1)c1ccc(F)cc1C
(F)(F)F - Molecular Weight1
- 362.12
- 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° | -538.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -719.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.35 | kJ/mol | Joback Calculated Property |
| log10WS | -6.05 | Crippen Calculated Property | |
| logPoct/wat | 4.859 | Crippen Calculated Property | |
| McVol | 196.730 | ml/mol | McGowan Calculated Property |
| Pc | 2600.43 | kPa | Joback Calculated Property |
| Inp | 2161.00 | NIST | |
| Tboil | 752.07 | K | Joback Calculated Property |
| Tc | 979.70 | K | Joback Calculated Property |
| Tfus | 505.11 | K | Joback Calculated Property |
| Vc | 0.767 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [505.60; 556.72] | J/mol×K | [752.07; 979.70] | 
|
| Cp,gas | 505.60 | J/mol×K | 752.07 | Joback Calculated Property |
| Cp,gas | 516.12 | J/mol×K | 790.01 | Joback Calculated Property |
| Cp,gas | 525.73 | J/mol×K | 827.95 | Joback Calculated Property |
| Cp,gas | 534.51 | J/mol×K | 865.88 | Joback Calculated Property |
| Cp,gas | 542.54 | J/mol×K | 903.82 | Joback Calculated Property |
| Cp,gas | 549.92 | J/mol×K | 941.76 | Joback Calculated Property |
| Cp,gas | 556.72 | J/mol×K | 979.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluoro-2-trifluoromethylbenzamide, N-(4-bromophenyl)-.
Sources
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