- InChI
- InChI=1S/C7H6BrF/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3
- InChI Key
- RJPNVPITBYXBNB-UHFFFAOYSA-N
- Formula
- C7H6BrF
- SMILES
- Cc1cc(F)ccc1Br
- Molecular Weight1
- 189.03
- CAS
- 452-63-1
- Other Names
-
- 3-Fluoro-6-bromotoluene
- Benzene, 1-bromo-4-fluoro-2-methyl-
- 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° | -79.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -144.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.39 | kJ/mol | Joback Calculated Property |
| log10WS | -3.44 | Crippen Calculated Property | |
| logPoct/wat | 2.897 | Crippen Calculated Property | |
| McVol | 105.000 | ml/mol | McGowan Calculated Property |
| Pc | 4082.92 | kPa | Joback Calculated Property |
| Tboil | 461.63 | K | Joback Calculated Property |
| Tc | 683.84 | K | Joback Calculated Property |
| Tfus | 280.50 | K | Joback Calculated Property |
| Vc | 0.400 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.72; 229.81] | J/mol×K | [461.63; 683.84] | 
|
| Cp,gas | 181.72 | J/mol×K | 461.63 | Joback Calculated Property |
| Cp,gas | 191.09 | J/mol×K | 498.67 | Joback Calculated Property |
| Cp,gas | 199.89 | J/mol×K | 535.70 | Joback Calculated Property |
| Cp,gas | 208.13 | J/mol×K | 572.74 | Joback Calculated Property |
| Cp,gas | 215.85 | J/mol×K | 609.77 | Joback Calculated Property |
| Cp,gas | 223.07 | J/mol×K | 646.81 | Joback Calculated Property |
| Cp,gas | 229.81 | J/mol×K | 683.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-5-fluorotoluene.
Sources
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