- InChI
- InChI=1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3
- InChI Key
- OZHJEQVYCBTHJT-UHFFFAOYSA-N
- Formula
- C7H3Br5
- SMILES
- Cc1c(Br)c(Br)c(Br)c(Br)c1Br
- Molecular Weight1
- 486.62
- CAS
- 87-83-2
- Other Names
-
- 2,3,4,5,6-Pentabromotoluene
- FR-705
- Flammex 5BT
- Pentabromomethylbenzene
- Pentabromotoluene
- Toluene, 2,3,4,5,6-pentabromo-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | 143.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 123.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.94 | kJ/mol | Joback Calculated Property |
| log10WS | -7.76 | Crippen Calculated Property | |
| logPoct/wat | 5.808 | Crippen Calculated Property | |
| McVol | 173.230 | ml/mol | McGowan Calculated Property |
| Pc | 6018.58 | kPa | Joback Calculated Property |
| Tboil | 741.94 | K | Joback Calculated Property |
| Tc | 1034.95 | K | Joback Calculated Property |
| Tfus | 559.00 | K | Measure... |
| Vc | 0.629 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [266.69; 295.41] | J/mol×K | [741.94; 1034.95] | 
|
| Cp,gas | 266.69 | J/mol×K | 741.94 | Joback Calculated Property |
| Cp,gas | 271.97 | J/mol×K | 790.77 | Joback Calculated Property |
| Cp,gas | 276.92 | J/mol×K | 839.61 | Joback Calculated Property |
| Cp,gas | 281.64 | J/mol×K | 888.44 | Joback Calculated Property |
| Cp,gas | 286.23 | J/mol×K | 937.28 | Joback Calculated Property |
| Cp,gas | 290.79 | J/mol×K | 986.11 | Joback Calculated Property |
| Cp,gas | 295.41 | J/mol×K | 1034.95 | Joback Calculated Property |
| η | [0.0001983; 0.0005249] | Pa×s | [556.67; 741.94] |
|
| η | 0.0005249 | Pa×s | 556.67 | Joback Calculated Property |
| η | 0.0004276 | Pa×s | 587.55 | Joback Calculated Property |
| η | 0.0003556 | Pa×s | 618.43 | Joback Calculated Property |
| η | 0.0003009 | Pa×s | 649.31 | Joback Calculated Property |
| η | 0.0002586 | Pa×s | 680.18 | Joback Calculated Property |
| η | 0.0002251 | Pa×s | 711.06 | Joback Calculated Property |
| η | 0.0001983 | Pa×s | 741.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, pentabromomethyl-.
Sources
- Crippen Method
- Crippen Method
- Measurement of Vapor Pressures and Melting Properties of Five Polybrominated Aromatic Flame Retardants
- Joback Method
- McGowan Method
- NIST Webbook
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