- InChI
- InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
- InChI Key
- TUXYZHVUPGXXQG-UHFFFAOYSA-N
- Formula
- C7H5BrO2
- SMILES
- O=C(O)c1ccc(Br)cc1
- Molecular Weight1
- 201.02
- Other Names
-
- 4-bromobenzoic acid
- Benzoic acid, p-bromo-
- benzoic acid, 4-bromo-
- p-Carboxybromobenzene
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- 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 |
|---|---|---|---|
| ω | 0.6594 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-3091.80; -3089.50] | kJ/mol |
|
| ΔcH°solid | -3090.10 ± 1.30 | kJ/mol | NIST |
| ΔcH°solid | -3091.80 ± 1.30 | kJ/mol | NIST |
| ΔcH°solid | -3089.50 ± 0.90 | kJ/mol | NIST |
| ΔcH°solid | -3090.80 ± 2.10 | kJ/mol | NIST |
| ΔfG° | -140.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-290.00; -272.00] | kJ/mol |
|
| ΔfH°gas | -275.90 ± 1.40 | kJ/mol | NIST |
| ΔfH°gas | -272.00 ± 1.70 | kJ/mol | NIST |
| ΔfH°gas | -290.00 ± 4.60 | kJ/mol | NIST |
| ΔfH°solid | [-379.60; -377.40] | kJ/mol |
|
| ΔfH°solid | -379.00 ± 1.30 | kJ/mol | NIST |
| ΔfH°solid | -377.40 ± 1.60 | kJ/mol | NIST |
| ΔfH°solid | -379.60 ± 1.30 | kJ/mol | NIST |
| ΔfH°solid | -378.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 30.87 | kJ/mol | Thermodynamic study of the sublimation of six halobenzoic acids |
| ΔsubH° | [87.90; 107.60] | kJ/mol |
|
| ΔsubH° | 103.10 ± 0.60 | kJ/mol | NIST |
| ΔsubH° | 107.60 ± 1.10 | kJ/mol | NIST |
| ΔsubH° | 107.60 ± 1.10 | kJ/mol | NIST |
| ΔsubH° | 87.90 ± 4.20 | kJ/mol | NIST |
| ΔvapH° | 94.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 ± 0.20 | eV | NIST |
| log10WS | -2.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.147 | Crippen Calculated Property | |
| McVol | 110.670 | ml/mol | McGowan Calculated Property |
| Pc | 5486.97 | kPa | Joback Calculated Property |
| Inp | 1415.00 | NIST | |
| Tboil | 557.75 | K | Relay (1.0) Calculated Property |
| Tc | 804.63 | K | Relay (1.0) Calculated Property |
| Tfus | [527.00; 531.00] | K |
|
| Tfus | 531.00 ± 3.00 | K | NIST |
| Tfus | 527.00 ± 4.00 | K | NIST |
| Tfus | 529.00 ± 4.00 | K | NIST |
| Vc | 0.379 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.92; 257.35] | J/mol×K | [603.43; 827.33] |
|
| Cp,gas | 220.92 | J/mol×K | 603.43 | Joback Calculated Property |
| Cp,gas | 228.26 | J/mol×K | 640.75 | Joback Calculated Property |
| Cp,gas | 235.04 | J/mol×K | 678.06 | Joback Calculated Property |
| Cp,gas | 241.31 | J/mol×K | 715.38 | Joback Calculated Property |
| Cp,gas | 247.09 | J/mol×K | 752.70 | Joback Calculated Property |
| Cp,gas | 252.43 | J/mol×K | 790.02 | Joback Calculated Property |
| Cp,gas | 257.35 | J/mol×K | 827.33 | Joback Calculated Property |
| Cp,solid | 151.40 | J/mol×K | 298.15 | NIST |
| η | [0.0001209; 0.0028538] | Pa×s | [378.14; 603.43] |
|
| η | 0.0028538 | Pa×s | 378.14 | Joback Calculated Property |
| η | 0.0013281 | Pa×s | 415.69 | Joback Calculated Property |
| η | 0.0007015 | Pa×s | 453.24 | Joback Calculated Property |
| η | 0.0004086 | Pa×s | 490.79 | Joback Calculated Property |
| η | 0.0002570 | Pa×s | 528.33 | Joback Calculated Property |
| η | 0.0001719 | Pa×s | 565.88 | Joback Calculated Property |
| η | 0.0001209 | Pa×s | 603.43 | Joback Calculated Property |
| ΔfusH | 30.87 | kJ/mol | 526.30 | NIST |
| ΔsubH | [107.40; 110.10] | kJ/mol | [357.50; 357.50] |
|
| ΔsubH | 107.40 ± 0.50 | kJ/mol | 357.50 | NIST |
| ΔsubH | 110.10 ± 0.80 | kJ/mol | 357.50 | NIST |
Similar Compounds
Find more compounds similar to p-Bromobenzoic acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Thermodynamic study of the sublimation of six halobenzoic acids
- Experimental and computational study on the molecular energetics of monobromoanisole isomers
- 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. Take the time to validate and double check the source of the data.