- InChI
- InChI=1S/C13H9BrFNO/c14-12-4-2-1-3-11(12)13(17)16-10-7-5-9(15)6-8-10/h1-8H,(H,16,17)
- InChI Key
- GARLNRUQNQMJAB-UHFFFAOYSA-N
- Formula
- C13H9BrFNO
- SMILES
- O=C(Nc1ccc(F)cc1)c1ccccc1Br
- Molecular Weight1
- 294.12
- 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° | 44.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -90.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.21 | kJ/mol | Joback Calculated Property |
| log10WS | -4.94 | Crippen Calculated Property | |
| logPoct/wat | 3.840 | Crippen Calculated Property | |
| McVol | 177.330 | ml/mol | McGowan Calculated Property |
| Pc | 3325.84 | kPa | Joback Calculated Property |
| Inp | [2104.00; 2104.00] |
|
|
| Inp | 2104.00 | NIST | |
| Inp | 2104.00 | NIST | |
| Tboil | 729.63 | K | Joback Calculated Property |
| Tc | 979.25 | K | Joback Calculated Property |
| Tfus | 477.13 | K | Joback Calculated Property |
| Vc | 0.668 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [429.72; 485.56] | J/mol×K | [729.63; 979.25] |
|
| Cp,gas | 429.72 | J/mol×K | 729.63 | Joback Calculated Property |
| Cp,gas | 441.35 | J/mol×K | 771.23 | Joback Calculated Property |
| Cp,gas | 451.94 | J/mol×K | 812.84 | Joback Calculated Property |
| Cp,gas | 461.58 | J/mol×K | 854.44 | Joback Calculated Property |
| Cp,gas | 470.34 | J/mol×K | 896.04 | Joback Calculated Property |
| Cp,gas | 478.31 | J/mol×K | 937.65 | Joback Calculated Property |
| Cp,gas | 485.56 | J/mol×K | 979.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(4-fluorophenyl)-2-bromo-.
Sources
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