- InChI
- InChI=1S/C12H7Br3O/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H
- InChI Key
- UPNBETHEXPIWQX-UHFFFAOYSA-N
- Formula
- C12H7Br3O
- SMILES
- Brc1ccc(Oc2ccc(Br)cc2Br)cc1
- Molecular Weight1
- 406.89
- CAS
- 41318-75-6
- Other Names
-
- PBDE Congener No. 28
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | 184.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 94.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.56 | kJ/mol | Joback Calculated Property |
| log10WS | -6.60 | Crippen Calculated Property | |
| logPoct/wat | 5.766 | Crippen Calculated Property | |
| McVol | 190.790 | ml/mol | McGowan Calculated Property |
| Pc | 4093.38 | kPa | Joback Calculated Property |
| Tboil | 763.16 | K | Joback Calculated Property |
| Tc | 1047.35 | K | Joback Calculated Property |
| Tfus | 517.03 | K | Joback Calculated Property |
| Vc | 0.696 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.04; 444.23] | J/mol×K | [763.16; 1047.35] | 
|
| Cp,gas | 396.04 | J/mol×K | 763.16 | Joback Calculated Property |
| Cp,gas | 406.16 | J/mol×K | 810.53 | Joback Calculated Property |
| Cp,gas | 415.31 | J/mol×K | 857.89 | Joback Calculated Property |
| Cp,gas | 423.60 | J/mol×K | 905.26 | Joback Calculated Property |
| Cp,gas | 431.11 | J/mol×K | 952.62 | Joback Calculated Property |
| Cp,gas | 437.96 | J/mol×K | 999.99 | Joback Calculated Property |
| Cp,gas | 444.23 | J/mol×K | 1047.35 | Joback Calculated Property |
| η | [0.0001241; 0.0005308] | Pa×s | [517.03; 763.16] |
|
| η | 0.0005308 | Pa×s | 517.03 | Joback Calculated Property |
| η | 0.0003811 | Pa×s | 558.05 | Joback Calculated Property |
| η | 0.0002863 | Pa×s | 599.07 | Joback Calculated Property |
| η | 0.0002232 | Pa×s | 640.10 | Joback Calculated Property |
| η | 0.0001792 | Pa×s | 681.12 | Joback Calculated Property |
| η | 0.0001476 | Pa×s | 722.14 | Joback Calculated Property |
| η | 0.0001241 | Pa×s | 763.16 | Joback Calculated Property |
| ΔvapH | 94.10 | kJ/mol | 439.00 | NIST |
Similar Compounds
Find more compounds similar to 2,4,4'-Tribromodiphenyl ether.
Sources
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