- InChI
- InChI=1S/C9H9BrO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6H2,(H,11,12)
- InChI Key
- BKMRWJWLBHHGCF-UHFFFAOYSA-N
- Formula
- C9H9BrO2
- SMILES
- O=C(O)c1ccc(CCBr)cc1
- Molecular Weight1
- 229.07
- CAS
- 52062-92-7
- Other Names
-
- p-(«beta»-Bromoethyl)benzoic acid
- p-(b-Bromoethyl)benzoic acid
- Benzoic acid, 4-(2-bromoethyl)-
- 4-(2-bromoethyl)benzoic 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° | -123.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -242.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.43 | kJ/mol | Joback Calculated Property |
| log10WS | -2.77 | Crippen Calculated Property | |
| logPoct/wat | 2.322 | Crippen Calculated Property | |
| McVol | 138.850 | ml/mol | McGowan Calculated Property |
| Pc | 4205.63 | kPa | Joback Calculated Property |
| Tboil | 649.19 | K | Joback Calculated Property |
| Tc | 865.25 | K | Joback Calculated Property |
| Tfus | 400.68 | K | Joback Calculated Property |
| Vc | 0.518 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [312.02; 358.50] | J/mol×K | [649.19; 865.25] | 
|
| Cp,gas | 312.02 | J/mol×K | 649.19 | Joback Calculated Property |
| Cp,gas | 321.22 | J/mol×K | 685.20 | Joback Calculated Property |
| Cp,gas | 329.79 | J/mol×K | 721.21 | Joback Calculated Property |
| Cp,gas | 337.77 | J/mol×K | 757.22 | Joback Calculated Property |
| Cp,gas | 345.18 | J/mol×K | 793.23 | Joback Calculated Property |
| Cp,gas | 352.08 | J/mol×K | 829.24 | Joback Calculated Property |
| Cp,gas | 358.50 | J/mol×K | 865.25 | Joback Calculated Property |
| η | [0.0000851; 0.0021704] | Pa×s | [400.68; 649.19] |
|
| η | 0.0021704 | Pa×s | 400.68 | Joback Calculated Property |
| η | 0.0009823 | Pa×s | 442.10 | Joback Calculated Property |
| η | 0.0005092 | Pa×s | 483.52 | Joback Calculated Property |
| η | 0.0002928 | Pa×s | 524.94 | Joback Calculated Property |
| η | 0.0001826 | Pa×s | 566.35 | Joback Calculated Property |
| η | 0.0001214 | Pa×s | 607.77 | Joback Calculated Property |
| η | 0.0000851 | Pa×s | 649.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4'-(2-Bromoethyl)benzoic acid.
Sources
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