- InChI
- InChI=1S/C7H4BrClO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
- InChI Key
- JAVZWSOFJKYSDY-UHFFFAOYSA-N
- Formula
- C7H4BrClO2
- SMILES
- O=C(O)c1ccc(Br)cc1Cl
- Molecular Weight1
- 235.46
- CAS
- 59748-90-2
- Other Names
-
- Benzoic acid, 4-bromo-2-chloro-
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6826 | Relay (... Calculated Property | |
| ΔfG° | -162.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -300.18 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.49 | kJ/mol | Relay (... Calculated Property |
| IE | 9.28 | eV | Relay (... Calculated Property |
| log10WS | -3.23 | Relay (... Calculated Property | |
| logPoct/wat | 2.801 | Crippen Calculated Property | |
| McVol | 122.910 | ml/mol | McGowan Calculated Property |
| Pc | 5087.49 | kPa | Joback Calculated Property |
| Tboil | 563.25 | K | Relay (... Calculated Property |
| Tc | 840.87 | K | Relay (... Calculated Property |
| Tfus | 427.22 | K | Relay (... Calculated Property |
| Vc | 0.422 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.54; 269.11] | J/mol×K | [645.84; 874.04] | 
|
| Cp,gas | 237.54 | J/mol×K | 645.84 | Joback Calculated Property |
| Cp,gas | 243.93 | J/mol×K | 683.87 | Joback Calculated Property |
| Cp,gas | 249.82 | J/mol×K | 721.91 | Joback Calculated Property |
| Cp,gas | 255.26 | J/mol×K | 759.94 | Joback Calculated Property |
| Cp,gas | 260.27 | J/mol×K | 797.98 | Joback Calculated Property |
| Cp,gas | 264.88 | J/mol×K | 836.01 | Joback Calculated Property |
| Cp,gas | 269.11 | J/mol×K | 874.04 | Joback Calculated Property |
| η | [0.0000985; 0.0015492] | Pa×s | [420.58; 645.84] |
|
| η | 0.0015492 | Pa×s | 420.58 | Joback Calculated Property |
| η | 0.0008109 | Pa×s | 458.12 | Joback Calculated Property |
| η | 0.0004682 | Pa×s | 495.67 | Joback Calculated Property |
| η | 0.0002920 | Pa×s | 533.21 | Joback Calculated Property |
| η | 0.0001938 | Pa×s | 570.75 | Joback Calculated Property |
| η | 0.0001353 | Pa×s | 608.30 | Joback Calculated Property |
| η | 0.0000985 | Pa×s | 645.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromo-2-chlorobenzoic acid.
Sources
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