- InChI
- InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-3H
- InChI Key
- FZANYOHKIPVTGC-UHFFFAOYSA-N
- Formula
- C6H2Br4O
- SMILES
- O=C1C(Br)=CC(Br)C=C1Br
- Molecular Weight1
- 409.69
- CAS
- 20244-61-5
- Other Names
-
- 2,4,4,6-tetrabromocyclohexa-2,5-dienone
- 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° | -14.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -78.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.84 | kJ/mol | Joback Calculated Property |
| log10WS | -3.61 | Crippen Calculated Property | |
| logPoct/wat | 2.890 | Crippen Calculated Property | |
| McVol | 130.010 | ml/mol | McGowan Calculated Property |
| Pc | 5871.90 | kPa | Joback Calculated Property |
| Tboil | 630.81 | K | Joback Calculated Property |
| Tc | 915.07 | K | Joback Calculated Property |
| Tfus | 438.94 | K | Joback Calculated Property |
| Vc | 0.469 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [223.51; 264.15] | J/mol×K | [630.81; 915.07] | 
|
| Cp,gas | 223.51 | J/mol×K | 630.81 | Joback Calculated Property |
| Cp,gas | 232.02 | J/mol×K | 678.19 | Joback Calculated Property |
| Cp,gas | 239.83 | J/mol×K | 725.56 | Joback Calculated Property |
| Cp,gas | 246.93 | J/mol×K | 772.94 | Joback Calculated Property |
| Cp,gas | 253.34 | J/mol×K | 820.32 | Joback Calculated Property |
| Cp,gas | 259.08 | J/mol×K | 867.69 | Joback Calculated Property |
| Cp,gas | 264.15 | J/mol×K | 915.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Tribromo-2,5-cyclohexadienone.
Sources
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