- InChI
- InChI=1S/C7H5BrClF/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2
- InChI Key
- HYILLTADABKYHO-UHFFFAOYSA-N
- Formula
- C7H5BrClF
- SMILES
- Fc1c(Cl)cccc1CBr
- Molecular Weight1
- 223.47
- CAS
- 85070-47-9
- 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° | -91.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -159.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.78 | kJ/mol | Joback Calculated Property |
| log10WS | -3.80 | Crippen Calculated Property | |
| logPoct/wat | 3.374 | Crippen Calculated Property | |
| McVol | 117.240 | ml/mol | McGowan Calculated Property |
| Pc | 3896.50 | kPa | Joback Calculated Property |
| Tboil | 499.06 | K | Joback Calculated Property |
| Tc | 727.13 | K | Joback Calculated Property |
| Tfus | 310.42 | K | Joback Calculated Property |
| Vc | 0.449 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.50; 247.63] | J/mol×K | [499.06; 727.13] | 
|
| Cp,gas | 203.50 | J/mol×K | 499.06 | Joback Calculated Property |
| Cp,gas | 212.24 | J/mol×K | 537.07 | Joback Calculated Property |
| Cp,gas | 220.39 | J/mol×K | 575.08 | Joback Calculated Property |
| Cp,gas | 227.97 | J/mol×K | 613.10 | Joback Calculated Property |
| Cp,gas | 235.02 | J/mol×K | 651.11 | Joback Calculated Property |
| Cp,gas | 241.56 | J/mol×K | 689.12 | Joback Calculated Property |
| Cp,gas | 247.63 | J/mol×K | 727.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzyl bromide.
Sources
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