- InChI
- InChI=1S/C7H4BrCl3O/c1-12-7-4(10)2-3(9)5(8)6(7)11/h2H,1H3
- InChI Key
- OIHHRLYOSUNYTC-UHFFFAOYSA-N
- Formula
- C7H4BrCl3O
- SMILES
- COc1c(Cl)cc(Cl)c(Br)c1Cl
- Molecular Weight1
- 290.37
- 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° | -44.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -150.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.10 | kJ/mol | Joback Calculated Property |
| log10WS | -4.81 | Crippen Calculated Property | |
| logPoct/wat | 4.418 | Crippen Calculated Property | |
| McVol | 145.820 | ml/mol | McGowan Calculated Property |
| Pc | 3551.53 | kPa | Joback Calculated Property |
| Inp | [1627.00; 1627.00] |
|
|
| Inp | 1627.00 | NIST | |
| Inp | 1627.00 | NIST | |
| Tboil | 607.03 | K | Joback Calculated Property |
| Tc | 855.20 | K | Joback Calculated Property |
| Tfus | 416.94 | K | Joback Calculated Property |
| Vc | 0.546 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.78; 288.31] | J/mol×K | [607.03; 855.20] |
|
| Cp,gas | 251.78 | J/mol×K | 607.03 | Joback Calculated Property |
| Cp,gas | 259.00 | J/mol×K | 648.39 | Joback Calculated Property |
| Cp,gas | 265.77 | J/mol×K | 689.75 | Joback Calculated Property |
| Cp,gas | 272.08 | J/mol×K | 731.11 | Joback Calculated Property |
| Cp,gas | 277.94 | J/mol×K | 772.48 | Joback Calculated Property |
| Cp,gas | 283.35 | J/mol×K | 813.84 | Joback Calculated Property |
| Cp,gas | 288.31 | J/mol×K | 855.20 | Joback Calculated Property |
| η | [0.0002190; 0.0007963] | Pa×s | [416.94; 607.03] |
|
| η | 0.0007963 | Pa×s | 416.94 | Joback Calculated Property |
| η | 0.0005952 | Pa×s | 448.62 | Joback Calculated Property |
| η | 0.0004623 | Pa×s | 480.30 | Joback Calculated Property |
| η | 0.0003705 | Pa×s | 511.99 | Joback Calculated Property |
| η | 0.0003046 | Pa×s | 543.67 | Joback Calculated Property |
| η | 0.0002560 | Pa×s | 575.35 | Joback Calculated Property |
| η | 0.0002190 | Pa×s | 607.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Bromo-2,4,6-trichloroanisole.
Sources
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