- InChI
- InChI=1S/C9H9BrO3/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
- InChI Key
- POTVGQUUEQTPNA-UHFFFAOYSA-N
- Formula
- C9H9BrO3
- SMILES
- COc1ccc(CC(=O)O)cc1Br
- Molecular Weight1
- 245.07
- CAS
- 774-81-2
- 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° | -238.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -386.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.50 | kJ/mol | Joback Calculated Property |
| log10WS | -2.66 | Crippen Calculated Property | |
| logPoct/wat | 2.085 | Crippen Calculated Property | |
| McVol | 144.720 | ml/mol | McGowan Calculated Property |
| Pc | 4036.37 | kPa | Joback Calculated Property |
| Tboil | 676.59 | K | Joback Calculated Property |
| Tc | 891.07 | K | Joback Calculated Property |
| Tfus | 435.43 | K | Joback Calculated Property |
| Vc | 0.536 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [332.69; 378.28] | J/mol×K | [676.59; 891.07] | 
|
| Cp,gas | 332.69 | J/mol×K | 676.59 | Joback Calculated Property |
| Cp,gas | 341.68 | J/mol×K | 712.34 | Joback Calculated Property |
| Cp,gas | 350.09 | J/mol×K | 748.08 | Joback Calculated Property |
| Cp,gas | 357.94 | J/mol×K | 783.83 | Joback Calculated Property |
| Cp,gas | 365.25 | J/mol×K | 819.58 | Joback Calculated Property |
| Cp,gas | 372.02 | J/mol×K | 855.32 | Joback Calculated Property |
| Cp,gas | 378.28 | J/mol×K | 891.07 | Joback Calculated Property |
| η | [0.0000611; 0.0010385] | Pa×s | [435.43; 676.59] |
|
| η | 0.0010385 | Pa×s | 435.43 | Joback Calculated Property |
| η | 0.0005305 | Pa×s | 475.62 | Joback Calculated Property |
| η | 0.0003009 | Pa×s | 515.82 | Joback Calculated Property |
| η | 0.0001852 | Pa×s | 556.01 | Joback Calculated Property |
| η | 0.0001217 | Pa×s | 596.20 | Joback Calculated Property |
| η | 0.0000844 | Pa×s | 636.40 | Joback Calculated Property |
| η | 0.0000611 | Pa×s | 676.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Bromo-4-methoxyphenylacetic acid.
Sources
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