- InChI
- InChI=1S/C14H8BrF4NO/c15-10-1-3-12(4-2-10)20-13(21)8-5-9(14(17,18)19)7-11(16)6-8/h1-7H,(H,20,21)
- InChI Key
- SOPFRYSXMODMRA-UHFFFAOYSA-N
- Formula
- C14H8BrF4NO
- SMILES
-
O=C(Nc1ccc(Br)cc1)c1cc(F)cc(C(
F)(F)F)c1 - Molecular Weight1
- 362.12
- ω : Acentric Factor.
- 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).
- 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 | 0.6677 | Relay (1.0) Calculated Property | |
| ΔfG° | -538.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -799.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.82 | Relay (1.0) 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 | 2210.00 | NIST | |
| Tboil | 620.24 | K | Relay (1.0) Calculated Property |
| Tc | 894.89 | K | Relay (1.0) Calculated Property |
| Tfus | 416.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.685 | m3/kmol | Relay (1.0) 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 3-Fluoro-5-trifluoromethylbenzamide, N-(4-bromophenyl)-.
Sources
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