- InChI
- InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H
- InChI Key
- WHPVYXDFIXRKLN-UHFFFAOYSA-N
- Formula
- C12H5Br5O
- SMILES
-
Brc1ccc(Oc2cc(Br)c(Br)cc2Br)c(
Br)c1 - Molecular Weight1
- 564.69
- CAS
- 60348-60-9
- Other Names
-
- 2,2',4,4',5-Pentabromodiphenyl ether
- BDE-99
- 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).
- Psub : Sublimation 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° | 193.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 124.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.75 | kJ/mol | Joback Calculated Property |
| log10WS | -8.92 | Crippen Calculated Property | |
| logPoct/wat | 7.291 | Crippen Calculated Property | |
| McVol | 225.790 | ml/mol | McGowan Calculated Property |
| Pc | 4723.61 | kPa | Joback Calculated Property |
| Tboil | 905.44 | K | Joback Calculated Property |
| Tc | 1206.95 | K | Joback Calculated Property |
| Tfus | 661.67 | K | Joback Calculated Property |
| Vc | 0.820 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [436.55; 475.69] | J/mol×K | [905.44; 1206.95] | 
|
| Cp,gas | 436.55 | J/mol×K | 905.44 | Joback Calculated Property |
| Cp,gas | 443.94 | J/mol×K | 955.69 | Joback Calculated Property |
| Cp,gas | 450.81 | J/mol×K | 1005.94 | Joback Calculated Property |
| Cp,gas | 457.29 | J/mol×K | 1056.19 | Joback Calculated Property |
| Cp,gas | 463.50 | J/mol×K | 1106.44 | Joback Calculated Property |
| Cp,gas | 469.59 | J/mol×K | 1156.70 | Joback Calculated Property |
| Cp,gas | 475.69 | J/mol×K | 1206.95 | Joback Calculated Property |
| η | [0.0000765; 0.0002386] | Pa×s | [661.67; 905.44] |
|
| η | 0.0002386 | Pa×s | 661.67 | Joback Calculated Property |
| η | 0.0001868 | Pa×s | 702.30 | Joback Calculated Property |
| η | 0.0001503 | Pa×s | 742.93 | Joback Calculated Property |
| η | 0.0001236 | Pa×s | 783.56 | Joback Calculated Property |
| η | 0.0001037 | Pa×s | 824.18 | Joback Calculated Property |
| η | 0.0000884 | Pa×s | 864.81 | Joback Calculated Property |
| η | 0.0000765 | Pa×s | 905.44 | Joback Calculated Property |
| ΔvapH | [100.30; 104.80] | kJ/mol | [418.00; 440.00] |
|
| ΔvapH | 100.30 | kJ/mol | 418.00 | NIST |
| ΔvapH | 104.80 | kJ/mol | 440.00 | NIST |
| Psub | [1.32e-07; 4.86e-06] | kPa | [323.60; 353.50] |
|
| Psub | 1.32e-07 | kPa | 323.60 | Measure... |
| Psub | 5.35e-07 | kPa | 333.51 | Measure... |
| Psub | 1.82e-06 | kPa | 343.46 | Measure... |
| Psub | 4.86e-06 | kPa | 353.50 | Measure... |
Similar Compounds
Find more compounds similar to 2,2',4,4',5,-Penabromodiphenyl ether.
Sources
- Crippen Method
- Crippen Method
- Measurement of Vapor Pressures of Selected PBDEs, Hexabromobenzene, and 1,2-Bis(2,4,6-tribromophenoxy)ethane at Elevated Temperatures
- Joback Method
- McGowan Method
- NIST Webbook
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