- InChI
- InChI=1S/C7H6BrF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
- InChI Key
- FFWQLZFIMNTUCZ-UHFFFAOYSA-N
- Formula
- C7H6BrF
- SMILES
- Fc1ccccc1CBr
- Molecular Weight1
- 189.03
- CAS
- 446-48-0
- Other Names
-
- o-Fluorobenzyl bromide
- Benzene, 1-(bromomethyl)-2-fluoro-
- «alpha»-bromo-o-fluorotoluene
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3989 | Relay (1.0) Calculated Property | |
| ΔfG° | -69.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -131.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.721 | Crippen Calculated Property | |
| McVol | 105.000 | ml/mol | McGowan Calculated Property |
| Pc | 4162.33 | kPa | Joback Calculated Property |
| Tboil | 466.72 | K | Relay (1.0) Calculated Property |
| Tc | 675.65 | K | Relay (1.0) Calculated Property |
| Tfus | 289.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.376 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.66; 231.65] | J/mol×K | [456.65; 677.45] | 
|
| Cp,gas | 181.66 | J/mol×K | 456.65 | Joback Calculated Property |
| Cp,gas | 191.53 | J/mol×K | 493.45 | Joback Calculated Property |
| Cp,gas | 200.73 | J/mol×K | 530.25 | Joback Calculated Property |
| Cp,gas | 209.31 | J/mol×K | 567.05 | Joback Calculated Property |
| Cp,gas | 217.30 | J/mol×K | 603.85 | Joback Calculated Property |
| Cp,gas | 224.74 | J/mol×K | 640.65 | Joback Calculated Property |
| Cp,gas | 231.65 | J/mol×K | 677.45 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 357.70 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Fluorobenzyl bromide.
Sources
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