- InChI
- InChI=1S/C7H5BrCl2O/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3H,1H3
- InChI Key
- OEYKUHBCPJRXGZ-UHFFFAOYSA-N
- Formula
- C7H5BrCl2O
- SMILES
- COc1c(Cl)cc(Cl)cc1Br
- Molecular Weight1
- 255.92
- 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° | -22.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -123.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.05 | kJ/mol | Joback Calculated Property |
| log10WS | -4.12 | Crippen Calculated Property | |
| logPoct/wat | 3.764 | Crippen Calculated Property | |
| McVol | 133.580 | ml/mol | McGowan Calculated Property |
| Pc | 3782.33 | kPa | Joback Calculated Property |
| Inp | [1420.00; 1420.00] |
|
|
| Inp | 1420.00 | NIST | |
| Inp | 1420.00 | NIST | |
| Tboil | 564.62 | K | Joback Calculated Property |
| Tc | 808.13 | K | Joback Calculated Property |
| Tfus | 374.50 | K | Joback Calculated Property |
| Vc | 0.497 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.46; 275.96] | J/mol×K | [564.62; 808.13] |
|
| Cp,gas | 234.46 | J/mol×K | 564.62 | Joback Calculated Property |
| Cp,gas | 242.60 | J/mol×K | 605.20 | Joback Calculated Property |
| Cp,gas | 250.24 | J/mol×K | 645.79 | Joback Calculated Property |
| Cp,gas | 257.38 | J/mol×K | 686.37 | Joback Calculated Property |
| Cp,gas | 264.05 | J/mol×K | 726.96 | Joback Calculated Property |
| Cp,gas | 270.24 | J/mol×K | 767.54 | Joback Calculated Property |
| Cp,gas | 275.96 | J/mol×K | 808.13 | Joback Calculated Property |
| η | [0.0002358; 0.0009926] | Pa×s | [374.50; 564.62] |
|
| η | 0.0009926 | Pa×s | 374.50 | Joback Calculated Property |
| η | 0.0007114 | Pa×s | 406.19 | Joback Calculated Property |
| η | 0.0005351 | Pa×s | 437.87 | Joback Calculated Property |
| η | 0.0004183 | Pa×s | 469.56 | Joback Calculated Property |
| η | 0.0003373 | Pa×s | 501.25 | Joback Calculated Property |
| η | 0.0002790 | Pa×s | 532.93 | Joback Calculated Property |
| η | 0.0002358 | Pa×s | 564.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-4,6-dichloroanisole.
Sources
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