- InChI
- InChI=1S/C13H7BrCl2O2/c14-10-4-2-1-3-9(10)13(17)18-8-5-6-11(15)12(16)7-8/h1-7H
- InChI Key
- GZDKZNTZGVTCOJ-UHFFFAOYSA-N
- Formula
- C13H7BrCl2O2
- SMILES
-
O=C(Oc1ccc(Cl)c(Cl)c1)c1ccccc1
Br - Molecular Weight1
- 346.00
- 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° | 11.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -122.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.43 | kJ/mol | Joback Calculated Property |
| log10WS | -6.09 | Crippen Calculated Property | |
| logPoct/wat | 4.975 | Crippen Calculated Property | |
| McVol | 195.930 | ml/mol | McGowan Calculated Property |
| Pc | 3059.17 | kPa | Joback Calculated Property |
| Inp | 2280.00 | NIST | |
| Tboil | 782.45 | K | Joback Calculated Property |
| Tc | 1047.67 | K | Joback Calculated Property |
| Tfus | 518.47 | K | Joback Calculated Property |
| Vc | 0.732 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [437.33; 482.86] | J/mol×K | [782.45; 1047.67] | 
|
| Cp,gas | 437.33 | J/mol×K | 782.45 | Joback Calculated Property |
| Cp,gas | 447.27 | J/mol×K | 826.65 | Joback Calculated Property |
| Cp,gas | 456.19 | J/mol×K | 870.86 | Joback Calculated Property |
| Cp,gas | 464.15 | J/mol×K | 915.06 | Joback Calculated Property |
| Cp,gas | 471.21 | J/mol×K | 959.26 | Joback Calculated Property |
| Cp,gas | 477.43 | J/mol×K | 1003.47 | Joback Calculated Property |
| Cp,gas | 482.86 | J/mol×K | 1047.67 | Joback Calculated Property |
| η | [0.0001248; 0.0006118] | Pa×s | [518.47; 782.45] |
|
| η | 0.0006118 | Pa×s | 518.47 | Joback Calculated Property |
| η | 0.0004232 | Pa×s | 562.47 | Joback Calculated Property |
| η | 0.0003088 | Pa×s | 606.46 | Joback Calculated Property |
| η | 0.0002351 | Pa×s | 650.46 | Joback Calculated Property |
| η | 0.0001853 | Pa×s | 694.46 | Joback Calculated Property |
| η | 0.0001503 | Pa×s | 738.45 | Joback Calculated Property |
| η | 0.0001248 | Pa×s | 782.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromobenzoic acid, 3,4-dichlorophenyl ester.
Sources
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