- InChI
- InChI=1S/C10H9BrO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)
- InChI Key
- ZODFRCZNTXLDDW-UHFFFAOYSA-N
- Formula
- C10H9BrO3
- SMILES
- O=C(O)CCC(=O)c1ccc(Br)cc1
- Molecular Weight1
- 257.08
- CAS
- 6340-79-0
- Other Names
-
- 3-(p-Bromobenzoyl)propionic acid
- «beta»-(p-Bromobenzoyl)propionic acid
- Benzenebutanoic acid, 4-bromo-«gamma»-oxo-
- 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° | -244.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -375.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.40 | kJ/mol | Joback Calculated Property |
| log10WS | -3.23 | Crippen Calculated Property | |
| logPoct/wat | 2.497 | Crippen Calculated Property | |
| McVol | 154.510 | ml/mol | McGowan Calculated Property |
| Pc | 4031.24 | kPa | Joback Calculated Property |
| Tboil | 725.94 | K | Joback Calculated Property |
| Tc | 944.68 | K | Joback Calculated Property |
| Tfus | 461.88 | K | Joback Calculated Property |
| Vc | 0.581 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.24; 411.42] | J/mol×K | [725.94; 944.68] | 
|
| Cp,gas | 368.24 | J/mol×K | 725.94 | Joback Calculated Property |
| Cp,gas | 376.91 | J/mol×K | 762.40 | Joback Calculated Property |
| Cp,gas | 384.94 | J/mol×K | 798.85 | Joback Calculated Property |
| Cp,gas | 392.37 | J/mol×K | 835.31 | Joback Calculated Property |
| Cp,gas | 399.23 | J/mol×K | 871.77 | Joback Calculated Property |
| Cp,gas | 405.57 | J/mol×K | 908.22 | Joback Calculated Property |
| Cp,gas | 411.42 | J/mol×K | 944.68 | Joback Calculated Property |
| η | [0.0000619; 0.0011687] | Pa×s | [461.88; 725.94] |
|
| η | 0.0011687 | Pa×s | 461.88 | Joback Calculated Property |
| η | 0.0005788 | Pa×s | 505.89 | Joback Calculated Property |
| η | 0.0003208 | Pa×s | 549.90 | Joback Calculated Property |
| η | 0.0001940 | Pa×s | 593.91 | Joback Calculated Property |
| η | 0.0001258 | Pa×s | 637.92 | Joback Calculated Property |
| η | 0.0000862 | Pa×s | 681.93 | Joback Calculated Property |
| η | 0.0000619 | Pa×s | 725.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(4-Bromobenzoyl)propionic acid.
Sources
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