- InChI
- InChI=1S/C7H2BrF5/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2
- InChI Key
- XDEPVFFKOVDUNO-UHFFFAOYSA-N
- Formula
- C7H2BrF5
- SMILES
- Fc1c(F)c(F)c(CBr)c(F)c1F
- Molecular Weight1
- 260.99
- CAS
- 1765-40-8
- Other Names
-
- Toluene, «alpha»-bromo-2,3,4,5,6-pentafluoro-
- «alpha»-Bromo-2,3,4,5,6-pentafluorotoluene
- (Bromomethyl)pentafluorobenzene
- Pentafluorobenzyl bromide
- 1-Bromomethylpentafluorobenzene
- 2,3,4,5,6-Pentafluorobenzyl bromide
- alpha-bromo-2,3,4,5,6-pentafluorotoluene
- 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).
- Inp : Non-polar retention indices.
- 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° | -887.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -962.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.11 | kJ/mol | Joback Calculated Property |
| log10WS | -4.44 | Crippen Calculated Property | |
| logPoct/wat | 3.277 | Crippen Calculated Property | |
| McVol | 112.080 | ml/mol | McGowan Calculated Property |
| Pc | 3121.00 | kPa | Joback Calculated Property |
| Inp | 991.00 | NIST | |
| Tboil | [447.50; 447.70] | K |
|
| Tboil | 447.50 ± 0.50 | K | NIST |
| Tboil | 447.70 | K | NIST |
| Tc | 656.64 | K | Joback Calculated Property |
| Tfus | 320.42 | K | Joback Calculated Property |
| Vc | 0.471 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [214.73; 249.56] | J/mol×K | [473.65; 656.64] |
|
| Cp,gas | 214.73 | J/mol×K | 473.65 | Joback Calculated Property |
| Cp,gas | 221.23 | J/mol×K | 504.15 | Joback Calculated Property |
| Cp,gas | 227.44 | J/mol×K | 534.65 | Joback Calculated Property |
| Cp,gas | 233.37 | J/mol×K | 565.14 | Joback Calculated Property |
| Cp,gas | 239.03 | J/mol×K | 595.64 | Joback Calculated Property |
| Cp,gas | 244.43 | J/mol×K | 626.14 | Joback Calculated Property |
| Cp,gas | 249.56 | J/mol×K | 656.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (bromomethyl)pentafluoro-.
Sources
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