- InChI
- InChI=1S/C13H8BrF2NO/c14-8-1-4-10(5-2-8)17-13(18)11-6-3-9(15)7-12(11)16/h1-7H,(H,17,18)
- InChI Key
- CSXOAKYJAFLEJK-UHFFFAOYSA-N
- Formula
- C13H8BrF2NO
- SMILES
- O=C(Nc1ccc(Br)cc1)c1ccc(F)cc1F
- Molecular Weight1
- 312.11
- 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° | -160.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -298.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.05 | kJ/mol | Joback Calculated Property |
| log10WS | -5.27 | Crippen Calculated Property | |
| logPoct/wat | 3.980 | Crippen Calculated Property | |
| McVol | 179.100 | ml/mol | McGowan Calculated Property |
| Pc | 3107.10 | kPa | Joback Calculated Property |
| Inp | [2187.00; 2187.00] |
|
|
| Inp | 2187.00 | NIST | |
| Inp | 2187.00 | NIST | |
| Tboil | 733.88 | K | Joback Calculated Property |
| Tc | 973.31 | K | Joback Calculated Property |
| Tfus | 490.24 | K | Joback Calculated Property |
| Vc | 0.686 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [435.99; 488.70] | J/mol×K | [733.88; 973.31] |
|
| Cp,gas | 435.99 | J/mol×K | 733.88 | Joback Calculated Property |
| Cp,gas | 446.89 | J/mol×K | 773.78 | Joback Calculated Property |
| Cp,gas | 456.86 | J/mol×K | 813.69 | Joback Calculated Property |
| Cp,gas | 465.96 | J/mol×K | 853.59 | Joback Calculated Property |
| Cp,gas | 474.26 | J/mol×K | 893.50 | Joback Calculated Property |
| Cp,gas | 481.82 | J/mol×K | 933.40 | Joback Calculated Property |
| Cp,gas | 488.70 | J/mol×K | 973.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Difluorobenzamide, N-(4-bromophenyl)-.
Sources
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