- InChI
- InChI=1S/C8H7BrO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)
- InChI Key
- WAKFRZBXTKUFIW-UHFFFAOYSA-N
- Formula
- C8H7BrO2
- SMILES
- O=C(O)C(Br)c1ccccc1
- Molecular Weight1
- 215.04
- CAS
- 4870-65-9
- Other Names
-
- dl-«alpha»-Bromophenylacetic acid
- Benzeneacetic acid, «alpha»-bromo-
- bromo(phenyl)acetic 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° | -124.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -215.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.15 | kJ/mol | Joback Calculated Property |
| log10WS | -2.26 | Crippen Calculated Property | |
| logPoct/wat | 2.207 | Crippen Calculated Property | |
| McVol | 124.760 | ml/mol | McGowan Calculated Property |
| Pc | 4938.44 | kPa | Joback Calculated Property |
| Tboil | 620.89 | K | Joback Calculated Property |
| Tc | 844.34 | K | Joback Calculated Property |
| Tfus | 361.89 | K | Joback Calculated Property |
| Vc | 0.457 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [267.76; 311.00] | J/mol×K | [620.89; 844.34] | 
|
| Cp,gas | 267.76 | J/mol×K | 620.89 | Joback Calculated Property |
| Cp,gas | 276.52 | J/mol×K | 658.13 | Joback Calculated Property |
| Cp,gas | 284.60 | J/mol×K | 695.37 | Joback Calculated Property |
| Cp,gas | 292.04 | J/mol×K | 732.62 | Joback Calculated Property |
| Cp,gas | 298.89 | J/mol×K | 769.86 | Joback Calculated Property |
| Cp,gas | 305.19 | J/mol×K | 807.10 | Joback Calculated Property |
| Cp,gas | 311.00 | J/mol×K | 844.34 | Joback Calculated Property |
| η | [0.0000976; 0.0048342] | Pa×s | [361.89; 620.89] |
|
| η | 0.0048342 | Pa×s | 361.89 | Joback Calculated Property |
| η | 0.0017838 | Pa×s | 405.06 | Joback Calculated Property |
| η | 0.0007976 | Pa×s | 448.22 | Joback Calculated Property |
| η | 0.0004108 | Pa×s | 491.39 | Joback Calculated Property |
| η | 0.0002355 | Pa×s | 534.56 | Joback Calculated Property |
| η | 0.0001467 | Pa×s | 577.72 | Joback Calculated Property |
| η | 0.0000976 | Pa×s | 620.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Bromophenylacetic acid.
Sources
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