- InChI
- InChI=1S/C14H9BrF3NO/c15-11-4-6-12(7-5-11)19-13(20)9-2-1-3-10(8-9)14(16,17)18/h1-8H,(H,19,20)
- InChI Key
- JDUHFWWSDVISOZ-UHFFFAOYSA-N
- Formula
- C14H9BrF3NO
- SMILES
-
O=C(Nc1ccc(Br)cc1)c1cccc(C(F)(
F)F)c1 - Molecular Weight1
- 344.13
- 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° | -334.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -512.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.50 | kJ/mol | Joback Calculated Property |
| log10WS | -5.71 | Crippen Calculated Property | |
| logPoct/wat | 4.720 | Crippen Calculated Property | |
| McVol | 194.960 | ml/mol | McGowan Calculated Property |
| Pc | 2767.17 | kPa | Joback Calculated Property |
| Inp | 2201.00 | NIST | |
| Tboil | 747.82 | K | Joback Calculated Property |
| Tc | 984.32 | K | Joback Calculated Property |
| Tfus | 492.00 | K | Joback Calculated Property |
| Vc | 0.750 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [499.39; 553.42] | J/mol×K | [747.82; 984.32] | 
|
| Cp,gas | 499.39 | J/mol×K | 747.82 | Joback Calculated Property |
| Cp,gas | 510.58 | J/mol×K | 787.24 | Joback Calculated Property |
| Cp,gas | 520.76 | J/mol×K | 826.65 | Joback Calculated Property |
| Cp,gas | 530.03 | J/mol×K | 866.07 | Joback Calculated Property |
| Cp,gas | 538.49 | J/mol×K | 905.49 | Joback Calculated Property |
| Cp,gas | 546.26 | J/mol×K | 944.90 | Joback Calculated Property |
| Cp,gas | 553.42 | J/mol×K | 984.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(4-bromophenyl)-3-trifluoromethyl-.
Sources
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