- InChI
- InChI=1S/C7H3BrFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
- InChI Key
- GYCNHFWRPJXTSB-UHFFFAOYSA-N
- Formula
- C7H3BrFN
- SMILES
- N#Cc1cc(Br)ccc1F
- Molecular Weight1
- 200.01
- CAS
- 179897-89-3
- Other Names
-
- Benzonitrile, 5-bromo-2-fluoro-
- 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).
- 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° | 53.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 20.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.87 | kJ/mol | Joback Calculated Property |
| log10WS | -3.32 | Crippen Calculated Property | |
| logPoct/wat | 2.460 | Crippen Calculated Property | |
| McVol | 106.380 | ml/mol | McGowan Calculated Property |
| Pc | 3955.54 | kPa | Joback Calculated Property |
| Tboil | 563.71 | K | Joback Calculated Property |
| Tc | 804.70 | K | Joback Calculated Property |
| Tfus | 345.49 | K | Joback Calculated Property |
| Vc | 0.425 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [195.13; 230.18] | J/mol×K | [563.71; 804.70] | 
|
| Cp,gas | 195.13 | J/mol×K | 563.71 | Joback Calculated Property |
| Cp,gas | 202.19 | J/mol×K | 603.87 | Joback Calculated Property |
| Cp,gas | 208.71 | J/mol×K | 644.04 | Joback Calculated Property |
| Cp,gas | 214.75 | J/mol×K | 684.20 | Joback Calculated Property |
| Cp,gas | 220.31 | J/mol×K | 724.37 | Joback Calculated Property |
| Cp,gas | 225.45 | J/mol×K | 764.53 | Joback Calculated Property |
| Cp,gas | 230.18 | J/mol×K | 804.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromo-2-fluorobenzonitrile.
Sources
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