- InChI
- InChI=1S/C9H9BrO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)
- InChI Key
- PFDBEACWLCHWRZ-UHFFFAOYSA-N
- Formula
- C9H9BrO2
- SMILES
- CC(C(=O)O)c1ccc(Br)cc1
- Molecular Weight1
- 229.07
- CAS
- 53086-53-6
- Other Names
-
- Benzeneacetic acid, 4-bromo-«alpha»-methyl-
- 2-(4-Bromophenyl)propanoic 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).
- 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° | -126.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -247.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.04 | kJ/mol | Joback Calculated Property |
| log10WS | -2.92 | Crippen Calculated Property | |
| logPoct/wat | 2.637 | Crippen Calculated Property | |
| McVol | 138.850 | ml/mol | McGowan Calculated Property |
| Pc | 4249.61 | kPa | Joback Calculated Property |
| Inp | 1574.00 | NIST | |
| Tboil | 648.75 | K | Joback Calculated Property |
| Tc | 869.08 | K | Joback Calculated Property |
| Tfus | 385.68 | K | Joback Calculated Property |
| Vc | 0.512 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [312.58; 359.87] | J/mol×K | [648.75; 869.08] | 
|
| Cp,gas | 312.58 | J/mol×K | 648.75 | Joback Calculated Property |
| Cp,gas | 322.00 | J/mol×K | 685.47 | Joback Calculated Property |
| Cp,gas | 330.75 | J/mol×K | 722.19 | Joback Calculated Property |
| Cp,gas | 338.88 | J/mol×K | 758.92 | Joback Calculated Property |
| Cp,gas | 346.41 | J/mol×K | 795.64 | Joback Calculated Property |
| Cp,gas | 353.40 | J/mol×K | 832.36 | Joback Calculated Property |
| Cp,gas | 359.87 | J/mol×K | 869.08 | Joback Calculated Property |
| η | [0.0000791; 0.0029098] | Pa×s | [385.68; 648.75] |
|
| η | 0.0029098 | Pa×s | 385.68 | Joback Calculated Property |
| η | 0.0011743 | Pa×s | 429.52 | Joback Calculated Property |
| η | 0.0005607 | Pa×s | 473.37 | Joback Calculated Property |
| η | 0.0003034 | Pa×s | 517.22 | Joback Calculated Property |
| η | 0.0001808 | Pa×s | 561.06 | Joback Calculated Property |
| η | 0.0001161 | Pa×s | 604.90 | Joback Calculated Property |
| η | 0.0000791 | Pa×s | 648.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(4-Bromophenyl)propionic acid.
Sources
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