- InChI
- InChI=1S/C9H7BrO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+
- InChI Key
- OMHDOOAFLCMRFX-AATRIKPKSA-N
- Formula
- C9H7BrO2
- SMILES
- O=C(O)C=Cc1ccccc1Br
- Molecular Weight1
- 227.06
- CAS
- 7499-56-1
- Other Names
-
- 2-Bromocinnamic acid
- o-Bromocinnamic acid
- 2-Propenoic acid, 3-(2-bromophenyl)-
- Cinnamic acid, o-bromo-
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -4130.00 | kJ/mol | NIST |
| ΔfH°gas | -232.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -305.20 | kJ/mol | NIST |
| ΔfusH° | 28.35 | kJ/mol | Joback Calculated Property |
| IE | 8.80 | eV | NIST |
| logPoct/wat | 2.547 | Crippen Calculated Property | |
| McVol | 134.550 | ml/mol | McGowan Calculated Property |
| Tboil | 589.23 | K | Relay (1.0) Calculated Property |
| Tfus | 409.20 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.20; 337.65] | J/mol×K | [653.01; 900.63] | 
|
| Cp,gas | 292.20 | J/mol×K | 653.01 | Joback Calculated Property |
| Cp,gas | 301.43 | J/mol×K | 694.28 | Joback Calculated Property |
| Cp,gas | 309.88 | J/mol×K | 735.55 | Joback Calculated Property |
| Cp,gas | 317.65 | J/mol×K | 776.82 | Joback Calculated Property |
| Cp,gas | 324.80 | J/mol×K | 818.09 | Joback Calculated Property |
| Cp,gas | 331.44 | J/mol×K | 859.36 | Joback Calculated Property |
| Cp,gas | 337.65 | J/mol×K | 900.63 | Joback Calculated Property |
| η | [0.0001959; 0.0009217] | Pa×s | [445.45; 653.01] |
|
| η | 0.0009217 | Pa×s | 445.45 | Joback Calculated Property |
| η | 0.0006488 | Pa×s | 480.04 | Joback Calculated Property |
| η | 0.0004788 | Pa×s | 514.64 | Joback Calculated Property |
| η | 0.0003671 | Pa×s | 549.23 | Joback Calculated Property |
| η | 0.0002905 | Pa×s | 583.82 | Joback Calculated Property |
| η | 0.0002360 | Pa×s | 618.42 | Joback Calculated Property |
| η | 0.0001959 | Pa×s | 653.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-3-(2-Bromophenyl)propenoic acid.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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