- InChI
- InChI=1S/C13H7BrCl2O2/c14-9-3-1-2-8(6-9)13(17)18-10-4-5-11(15)12(16)7-10/h1-7H
- InChI Key
- PHBPGBKWKJBKOG-UHFFFAOYSA-N
- Formula
- C13H7BrCl2O2
- SMILES
-
O=C(Oc1ccc(Cl)c(Cl)c1)c1cccc(B
r)c1 - Molecular Weight1
- 346.00
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -193.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.39 | kJ/mol | Joback Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.975 | Crippen Calculated Property | |
| McVol | 195.930 | ml/mol | McGowan Calculated Property |
| Tboil | 629.08 | K | Relay (1.0) Calculated Property |
| Tfus | 350.15 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [435.89; 480.81] | J/mol×K | [764.58; 1028.69] | 
|
| Cp,gas | 435.89 | J/mol×K | 764.58 | Joback Calculated Property |
| Cp,gas | 445.93 | J/mol×K | 808.60 | Joback Calculated Property |
| Cp,gas | 454.87 | J/mol×K | 852.62 | Joback Calculated Property |
| Cp,gas | 462.77 | J/mol×K | 896.63 | Joback Calculated Property |
| Cp,gas | 469.69 | J/mol×K | 940.65 | Joback Calculated Property |
| Cp,gas | 475.68 | J/mol×K | 984.67 | Joback Calculated Property |
| Cp,gas | 480.81 | J/mol×K | 1028.69 | Joback Calculated Property |
| η | [0.0001097; 0.0006772] | Pa×s | [488.64; 764.58] |
|
| η | 0.0006772 | Pa×s | 488.64 | Joback Calculated Property |
| η | 0.0004388 | Pa×s | 534.63 | Joback Calculated Property |
| η | 0.0003046 | Pa×s | 580.62 | Joback Calculated Property |
| η | 0.0002230 | Pa×s | 626.61 | Joback Calculated Property |
| η | 0.0001704 | Pa×s | 672.60 | Joback Calculated Property |
| η | 0.0001348 | Pa×s | 718.59 | Joback Calculated Property |
| η | 0.0001097 | Pa×s | 764.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Bromobenzoic acid, 3,4-dichlorophenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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