- InChI
- InChI=1S/C9H7Br3O2/c1-4-6(10)3-7(11)9(8(4)12)14-5(2)13/h3H,1-2H3
- InChI Key
- BRPUKPYVNVKWCE-UHFFFAOYSA-N
- Formula
- C9H7Br3O2
- SMILES
- CC(=O)Oc1c(Br)cc(Br)c(C)c1Br
- Molecular Weight1
- 386.86
- Other Names
-
- 2,4,6-Tribromo-3-acetyloxytoluene
- 2,4,6-Tribromo-m-cresol 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).
- Inp : Non-polar retention indices.
- 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° | -92.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -204.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.01 | kJ/mol | Joback Calculated Property |
| log10WS | -5.75 | Crippen Calculated Property | |
| logPoct/wat | 4.208 | Crippen Calculated Property | |
| McVol | 173.850 | ml/mol | McGowan Calculated Property |
| Pc | 4119.70 | kPa | Joback Calculated Property |
| Inp | 1944.00 | NIST | |
| Tboil | 726.69 | K | Joback Calculated Property |
| Tc | 984.06 | K | Joback Calculated Property |
| Tfus | 519.25 | K | Joback Calculated Property |
| Vc | 0.641 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [343.91; 385.75] | J/mol×K | [726.69; 984.06] | 
|
| Cp,gas | 343.91 | J/mol×K | 726.69 | Joback Calculated Property |
| Cp,gas | 352.39 | J/mol×K | 769.58 | Joback Calculated Property |
| Cp,gas | 360.23 | J/mol×K | 812.48 | Joback Calculated Property |
| Cp,gas | 367.46 | J/mol×K | 855.37 | Joback Calculated Property |
| Cp,gas | 374.10 | J/mol×K | 898.27 | Joback Calculated Property |
| Cp,gas | 380.19 | J/mol×K | 941.16 | Joback Calculated Property |
| Cp,gas | 385.75 | J/mol×K | 984.06 | Joback Calculated Property |
| η | [0.0001779; 0.0005992] | Pa×s | [519.25; 726.69] |
|
| η | 0.0005992 | Pa×s | 519.25 | Joback Calculated Property |
| η | 0.0004594 | Pa×s | 553.82 | Joback Calculated Property |
| η | 0.0003635 | Pa×s | 588.40 | Joback Calculated Property |
| η | 0.0002951 | Pa×s | 622.97 | Joback Calculated Property |
| η | 0.0002449 | Pa×s | 657.54 | Joback Calculated Property |
| η | 0.0002071 | Pa×s | 692.12 | Joback Calculated Property |
| η | 0.0001779 | Pa×s | 726.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Tribromo-3-methylphenyl acetate.
Sources
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