- InChI
- InChI=1S/C9H9BrO3/c1-12-7-2-4-8(5-3-7)13-9(11)6-10/h2-5H,6H2,1H3
- InChI Key
- CWPDVNAECGVQQI-UHFFFAOYSA-N
- Formula
- C9H9BrO3
- SMILES
- COc1ccc(OC(=O)CBr)cc1
- Molecular Weight1
- 245.07
- 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° | -196.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -354.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.57 | kJ/mol | Joback Calculated Property |
| log10WS | -2.34 | Crippen Calculated Property | |
| logPoct/wat | 1.995 | Crippen Calculated Property | |
| McVol | 144.720 | ml/mol | McGowan Calculated Property |
| Pc | 3594.25 | kPa | Joback Calculated Property |
| Inp | [1575.00; 1575.00] |
|
|
| Inp | 1575.00 | NIST | |
| Inp | 1575.00 | NIST | |
| Tboil | 601.85 | K | Joback Calculated Property |
| Tc | 830.28 | K | Joback Calculated Property |
| Tfus | 384.32 | K | Joback Calculated Property |
| Vc | 0.535 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [313.49; 370.48] | J/mol×K | [601.85; 830.28] |
|
| Cp,gas | 313.49 | J/mol×K | 601.85 | Joback Calculated Property |
| Cp,gas | 324.70 | J/mol×K | 639.92 | Joback Calculated Property |
| Cp,gas | 335.22 | J/mol×K | 677.99 | Joback Calculated Property |
| Cp,gas | 345.05 | J/mol×K | 716.06 | Joback Calculated Property |
| Cp,gas | 354.20 | J/mol×K | 754.14 | Joback Calculated Property |
| Cp,gas | 362.68 | J/mol×K | 792.21 | Joback Calculated Property |
| Cp,gas | 370.48 | J/mol×K | 830.28 | Joback Calculated Property |
| η | [0.0001878; 0.0011373] | Pa×s | [384.32; 601.85] |
|
| η | 0.0011373 | Pa×s | 384.32 | Joback Calculated Property |
| η | 0.0007401 | Pa×s | 420.57 | Joback Calculated Property |
| η | 0.0005156 | Pa×s | 456.83 | Joback Calculated Property |
| η | 0.0003789 | Pa×s | 493.09 | Joback Calculated Property |
| η | 0.0002904 | Pa×s | 529.34 | Joback Calculated Property |
| η | 0.0002303 | Pa×s | 565.60 | Joback Calculated Property |
| η | 0.0001878 | Pa×s | 601.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bromoacetic acid, 4-methoxyphenyl ester.
Sources
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