- InChI
- InChI=1S/C9H6BrFO2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
- InChI Key
- SVJGKQYKYNDYMU-DUXPYHPUSA-N
- Formula
- C9H6BrFO2
- SMILES
- O=C(O)C=Cc1ccc(Br)cc1F
- Molecular Weight1
- 245.04
- CAS
- 149947-19-3
- Other Names
-
- 2-Propenoic acid, 3-(4-bromo-2-fluorophenyl)-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -247.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -332.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.23 | kJ/mol | Joback Calculated Property |
| log10WS | -3.31 | Crippen Calculated Property | |
| logPoct/wat | 2.686 | Crippen Calculated Property | |
| McVol | 136.320 | ml/mol | McGowan Calculated Property |
| Pc | 4162.33 | kPa | Joback Calculated Property |
| Tboil | 657.60 | K | Joback Calculated Property |
| Tc | 873.37 | K | Joback Calculated Property |
| Tfus | 408.71 | K | Joback Calculated Property |
| Vc | 0.516 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [295.88; 335.32] | J/mol×K | [657.60; 873.37] | 
|
| Cp,gas | 295.88 | J/mol×K | 657.60 | Joback Calculated Property |
| Cp,gas | 303.69 | J/mol×K | 693.56 | Joback Calculated Property |
| Cp,gas | 310.95 | J/mol×K | 729.52 | Joback Calculated Property |
| Cp,gas | 317.69 | J/mol×K | 765.48 | Joback Calculated Property |
| Cp,gas | 323.98 | J/mol×K | 801.44 | Joback Calculated Property |
| Cp,gas | 329.84 | J/mol×K | 837.40 | Joback Calculated Property |
| Cp,gas | 335.32 | J/mol×K | 873.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromo-2-fluorocinnamic acid.
Sources
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