- InChI
- InChI=1S/C8H5Br3O2/c1-4(12)13-8-6(10)2-5(9)3-7(8)11/h2-3H,1H3
- InChI Key
- SLENHFBXWIEZCY-UHFFFAOYSA-N
- Formula
- C8H5Br3O2
- SMILES
- CC(=O)Oc1c(Br)cc(Br)cc1Br
- Molecular Weight1
- 372.84
- CAS
- 607-95-4
- Other Names
-
- Acetic acid, 2,4,6-tribromophenyl ester
- 2,4,6-tribromophenyl acetate
- 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).
- 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° | -90.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -172.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.12 | kJ/mol | Joback Calculated Property |
| log10WS | -5.27 | Crippen Calculated Property | |
| logPoct/wat | 3.899 | Crippen Calculated Property | |
| McVol | 159.760 | ml/mol | McGowan Calculated Property |
| Pc | 4775.98 | kPa | Joback Calculated Property |
| Tboil | 698.83 | K | Joback Calculated Property |
| Tc | 961.59 | K | Joback Calculated Property |
| Tfus | 495.46 | K | Joback Calculated Property |
| Vc | 0.586 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.10; 335.23] | J/mol×K | [698.83; 961.59] | 
|
| Cp,gas | 298.10 | J/mol×K | 698.83 | Joback Calculated Property |
| Cp,gas | 305.73 | J/mol×K | 742.62 | Joback Calculated Property |
| Cp,gas | 312.73 | J/mol×K | 786.42 | Joback Calculated Property |
| Cp,gas | 319.14 | J/mol×K | 830.21 | Joback Calculated Property |
| Cp,gas | 325.00 | J/mol×K | 874.00 | Joback Calculated Property |
| Cp,gas | 330.36 | J/mol×K | 917.79 | Joback Calculated Property |
| Cp,gas | 335.23 | J/mol×K | 961.59 | Joback Calculated Property |
| η | [0.0002022; 0.0007215] | Pa×s | [495.46; 698.83] |
|
| η | 0.0007215 | Pa×s | 495.46 | Joback Calculated Property |
| η | 0.0005453 | Pa×s | 529.36 | Joback Calculated Property |
| η | 0.0004263 | Pa×s | 563.25 | Joback Calculated Property |
| η | 0.0003427 | Pa×s | 597.14 | Joback Calculated Property |
| η | 0.0002820 | Pa×s | 631.04 | Joback Calculated Property |
| η | 0.0002368 | Pa×s | 664.93 | Joback Calculated Property |
| η | 0.0002022 | Pa×s | 698.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,4,6-tribromo-, acetate.
Sources
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