- InChI
- InChI=1S/C12H6Br4O/c13-9-3-1-7(5-11(9)15)17-8-2-4-10(14)12(16)6-8/h1-6H
- InChI Key
- RYGLOWMCGZHYRQ-UHFFFAOYSA-N
- Formula
- C12H6Br4O
- SMILES
-
Brc1ccc(Oc2ccc(Br)c(Br)c2)cc1B
r - Molecular Weight1
- 485.79
- CAS
- 93703-48-1
- Other Names
-
- PBDE Congener No. 77
- 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° | 188.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 109.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.66 | kJ/mol | Joback Calculated Property |
| log10WS | -7.76 | Crippen Calculated Property | |
| logPoct/wat | 6.529 | Crippen Calculated Property | |
| McVol | 208.290 | ml/mol | McGowan Calculated Property |
| Pc | 4391.59 | kPa | Joback Calculated Property |
| Tboil | 834.30 | K | Joback Calculated Property |
| Tc | 1127.74 | K | Joback Calculated Property |
| Tfus | 589.35 | K | Joback Calculated Property |
| Vc | 0.757 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [417.90; 459.97] | J/mol×K | [834.30; 1127.74] | 
|
| Cp,gas | 417.90 | J/mol×K | 834.30 | Joback Calculated Property |
| Cp,gas | 426.46 | J/mol×K | 883.21 | Joback Calculated Property |
| Cp,gas | 434.25 | J/mol×K | 932.11 | Joback Calculated Property |
| Cp,gas | 441.38 | J/mol×K | 981.02 | Joback Calculated Property |
| Cp,gas | 447.96 | J/mol×K | 1029.92 | Joback Calculated Property |
| Cp,gas | 454.12 | J/mol×K | 1078.83 | Joback Calculated Property |
| Cp,gas | 459.97 | J/mol×K | 1127.74 | Joback Calculated Property |
| η | [0.0000989; 0.0003545] | Pa×s | [589.35; 834.30] |
|
| η | 0.0003545 | Pa×s | 589.35 | Joback Calculated Property |
| η | 0.0002675 | Pa×s | 630.17 | Joback Calculated Property |
| η | 0.0002088 | Pa×s | 671.00 | Joback Calculated Property |
| η | 0.0001677 | Pa×s | 711.83 | Joback Calculated Property |
| η | 0.0001380 | Pa×s | 752.65 | Joback Calculated Property |
| η | 0.0001158 | Pa×s | 793.47 | Joback Calculated Property |
| η | 0.0000989 | Pa×s | 834.30 | Joback Calculated Property |
| ΔvapH | 95.30 | kJ/mol | 418.00 | NIST |
Similar Compounds
Find more compounds similar to 3,3',4,4'-Tetrabromodiphenyl ether.
Sources
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