- InChI
- InChI=1S/C9H7BrO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H/b9-6-
- InChI Key
- WQRWNOKNRHCLHV-TWGQIWQCSA-N
- Formula
- C9H7BrO
- SMILES
- O=CC(Br)=Cc1ccccc1
- Molecular Weight1
- 211.06
- CAS
- 5443-49-2
- Other Names
-
- Alphabrocine
- B 37
- «alpha»-Bromocinnamaldehyde
- «alpha»-Bromocinnamic Aldehyde
- Cinnamaldehyde, «alpha»-bromo-
- 2-bromocinnamaldehyde
- 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° | 123.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 55.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.10 | kJ/mol | Joback Calculated Property |
| log10WS | -2.92 | Crippen Calculated Property | |
| logPoct/wat | 2.621 | Crippen Calculated Property | |
| McVol | 128.680 | ml/mol | McGowan Calculated Property |
| Pc | 4156.97 | kPa | Joback Calculated Property |
| Tboil | 550.86 | K | Joback Calculated Property |
| Tc | 794.52 | K | Joback Calculated Property |
| Tfus | 300.37 | K | Joback Calculated Property |
| Vc | 0.491 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.48; 304.94] | J/mol×K | [550.86; 794.52] | 
|
| Cp,gas | 251.48 | J/mol×K | 550.86 | Joback Calculated Property |
| Cp,gas | 262.49 | J/mol×K | 591.47 | Joback Calculated Property |
| Cp,gas | 272.56 | J/mol×K | 632.08 | Joback Calculated Property |
| Cp,gas | 281.75 | J/mol×K | 672.69 | Joback Calculated Property |
| Cp,gas | 290.16 | J/mol×K | 713.30 | Joback Calculated Property |
| Cp,gas | 297.86 | J/mol×K | 753.91 | Joback Calculated Property |
| Cp,gas | 304.94 | J/mol×K | 794.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenal, 2-bromo-3-phenyl-.
Sources
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