- InChI
- InChI=1S/C8H5BrO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)
- InChI Key
- AZXKGUVDIORSED-UHFFFAOYSA-N
- Formula
- C8H5BrO4
- SMILES
- O=C(O)c1ccc(Br)cc1C(=O)O
- Molecular Weight1
- 245.03
- CAS
- 6968-28-1
- Other Names
-
- 4-bromophthalic acid
- 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).
- 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° | -407.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -498.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.29 | kJ/mol | Joback Calculated Property |
| log10WS | -2.76 | Crippen Calculated Property | |
| logPoct/wat | 1.845 | Crippen Calculated Property | |
| McVol | 132.200 | ml/mol | McGowan Calculated Property |
| Pc | 5862.92 | kPa | Joback Calculated Property |
| Tboil | 777.34 | K | Joback Calculated Property |
| Tc | 989.86 | K | Joback Calculated Property |
| Tfus | 512.68 | K | Joback Calculated Property |
| Vc | 0.487 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.78; 330.92] | J/mol×K | [777.34; 989.86] | 
|
| Cp,gas | 303.78 | J/mol×K | 777.34 | Joback Calculated Property |
| Cp,gas | 309.29 | J/mol×K | 812.76 | Joback Calculated Property |
| Cp,gas | 314.37 | J/mol×K | 848.18 | Joback Calculated Property |
| Cp,gas | 319.05 | J/mol×K | 883.60 | Joback Calculated Property |
| Cp,gas | 323.35 | J/mol×K | 919.02 | Joback Calculated Property |
| Cp,gas | 327.30 | J/mol×K | 954.44 | Joback Calculated Property |
| Cp,gas | 330.92 | J/mol×K | 989.86 | Joback Calculated Property |
| η | [0.0000134; 0.0004271] | Pa×s | [512.68; 777.34] |
|
| η | 0.0004271 | Pa×s | 512.68 | Joback Calculated Property |
| η | 0.0001909 | Pa×s | 556.79 | Joback Calculated Property |
| η | 0.0000960 | Pa×s | 600.90 | Joback Calculated Property |
| η | 0.0000531 | Pa×s | 645.01 | Joback Calculated Property |
| η | 0.0000316 | Pa×s | 689.12 | Joback Calculated Property |
| η | 0.0000201 | Pa×s | 733.23 | Joback Calculated Property |
| η | 0.0000134 | Pa×s | 777.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Benzenedicarboxylic acid, 4-bromo-.
Sources
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