- InChI
- InChI=1S/C7H5Br2F/c8-4-5-3-6(10)1-2-7(5)9/h1-3H,4H2
- InChI Key
- CZLWYKAZAVYQIK-UHFFFAOYSA-N
- Formula
- C7H5Br2F
- SMILES
- Fc1ccc(Br)c(CBr)c1
- Molecular Weight1
- 267.92
- CAS
- 112399-50-5
- 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).
- 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 | 0.4524 | Relay (1.0) Calculated Property | |
| ΔfG° | -64.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -120.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.483 | Crippen Calculated Property | |
| McVol | 122.500 | ml/mol | McGowan Calculated Property |
| Pc | 4468.24 | kPa | Joback Calculated Property |
| Tboil | 510.89 | K | Relay (1.0) Calculated Property |
| Tc | 721.02 | K | Relay (1.0) Calculated Property |
| Tfus | 332.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.424 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [211.52; 254.20] | J/mol×K | [527.79; 766.74] | 
|
| Cp,gas | 211.52 | J/mol×K | 527.79 | Joback Calculated Property |
| Cp,gas | 220.12 | J/mol×K | 567.62 | Joback Calculated Property |
| Cp,gas | 228.06 | J/mol×K | 607.44 | Joback Calculated Property |
| Cp,gas | 235.39 | J/mol×K | 647.27 | Joback Calculated Property |
| Cp,gas | 242.16 | J/mol×K | 687.09 | Joback Calculated Property |
| Cp,gas | 248.42 | J/mol×K | 726.92 | Joback Calculated Property |
| Cp,gas | 254.20 | J/mol×K | 766.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-5-fluorobenzyl bromide.
Sources
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