- InChI
- InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
- InChI Key
- BSWWXRFVMJHFBN-UHFFFAOYSA-N
- Formula
- C6H3Br3O
- SMILES
- Oc1c(Br)cc(Br)cc1Br
- Molecular Weight1
- 330.80
- CAS
- 118-79-6
- Other Names
-
- Bromkal Pur 3
- Bromol
- Flammex 3BP
- 2,4,6-Tribromophenol
- TA 10
- Emery 9332
- FR-613
- Great Lakes PH-73
- 1,3,5-Tribromo-2-hydroxybenzene
- NSC 2136
- TBP
- PH 73
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔcH°solid | -2689.20 ± 3.50 | kJ/mol | NIST |
| ΔfG° | -18.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -0.90 ± 2.50 | kJ/mol | NIST |
| ΔfH°solid | [-101.00; -98.50] | kJ/mol |
|
| ΔfH°solid | -101.00 ± 4.00 | kJ/mol | NIST |
| ΔfH°solid | -98.50 ± 2.30 | kJ/mol | NIST |
| ΔfusH° | 26.20 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 97.60 ± 1.10 | kJ/mol | NIST |
| ΔvapH° | 64.87 | kJ/mol | Joback Calculated Property |
| log10WS | -4.51 | Crippen Calculated Property | |
| logPoct/wat | 3.680 | Crippen Calculated Property | |
| McVol | 130.010 | ml/mol | McGowan Calculated Property |
| Pc | 7735.33 | kPa | Joback Calculated Property |
| Inp | [278.50; 1624.00] |
|
|
| Inp | 1624.00 | NIST | |
| Inp | 1576.00 | NIST | |
| Inp | 278.50 | NIST | |
| Inp | 1576.00 | NIST | |
| Tboil | 652.42 | K | Joback Calculated Property |
| Tc | 934.99 | K | Joback Calculated Property |
| Tfus | [366.00; 368.65] | K |
|
| Tfus | 368.65 ± 2.00 | K | NIST |
| Tfus | 368.00 ± 1.50 | K | NIST |
| Tfus | 366.00 ± 3.00 | K | NIST |
| Vc | 0.415 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.69; 246.73] | J/mol×K | [652.42; 934.99] |
|
| Cp,gas | 218.69 | J/mol×K | 652.42 | Joback Calculated Property |
| Cp,gas | 223.92 | J/mol×K | 699.52 | Joback Calculated Property |
| Cp,gas | 228.70 | J/mol×K | 746.61 | Joback Calculated Property |
| Cp,gas | 233.20 | J/mol×K | 793.71 | Joback Calculated Property |
| Cp,gas | 237.59 | J/mol×K | 840.80 | Joback Calculated Property |
| Cp,gas | 242.05 | J/mol×K | 887.90 | Joback Calculated Property |
| Cp,gas | 246.73 | J/mol×K | 934.99 | Joback Calculated Property |
| Cp,solid | 172.00 | J/mol×K | 298.15 | NIST |
| η | [0.0000376; 0.0002647] | Pa×s | [499.96; 652.42] |
|
| η | 0.0002647 | Pa×s | 499.96 | Joback Calculated Property |
| η | 0.0001768 | Pa×s | 525.37 | Joback Calculated Property |
| η | 0.0001225 | Pa×s | 550.78 | Joback Calculated Property |
| η | 0.0000877 | Pa×s | 576.19 | Joback Calculated Property |
| η | 0.0000646 | Pa×s | 601.60 | Joback Calculated Property |
| η | 0.0000488 | Pa×s | 627.01 | Joback Calculated Property |
| η | 0.0000376 | Pa×s | 652.42 | Joback Calculated Property |
| ΔfusH | [18.52; 20.90] | kJ/mol | [366.20; 367.50] |
|
| ΔfusH | 18.52 | kJ/mol | 366.20 | NIST |
| ΔfusH | 18.52 | kJ/mol | 366.20 | NIST |
| ΔfusH | 20.90 | kJ/mol | 367.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 559.20 | K | 99.50 | NIST |
Similar Compounds
Find more compounds similar to Phenol, 2,4,6-tribromo-.
Sources
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