- InChI
- InChI=1S/C9H7BrO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+
- InChI Key
- YEMUSDCFQUBPAL-SNAWJCMRSA-N
- Formula
- C9H7BrO2
- SMILES
- O=C(O)C=Cc1cccc(Br)c1
- Molecular Weight1
- 227.06
- CAS
- 32862-97-8
- Other Names
-
- m-Bromocinnamic acid
- trans-3-Bromocinnamic acid
- 2-Propenoic acid, 3-(3-bromophenyl)-
- BW A800U
- Cinnamic acid, m-bromo-
- 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° | -43.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -125.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.38 | kJ/mol | Joback Calculated Property |
| log10WS | -2.98 | Crippen Calculated Property | |
| logPoct/wat | 2.547 | Crippen Calculated Property | |
| McVol | 134.550 | ml/mol | McGowan Calculated Property |
| Pc | 4504.30 | kPa | Joback Calculated Property |
| Tboil | 653.35 | K | Joback Calculated Property |
| Tc | 878.21 | K | Joback Calculated Property |
| Tfus | 395.60 | K | Joback Calculated Property |
| Vc | 0.498 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [289.45; 331.55] | J/mol×K | [653.35; 878.21] | 
|
| Cp,gas | 289.45 | J/mol×K | 653.35 | Joback Calculated Property |
| Cp,gas | 297.87 | J/mol×K | 690.83 | Joback Calculated Property |
| Cp,gas | 305.65 | J/mol×K | 728.30 | Joback Calculated Property |
| Cp,gas | 312.86 | J/mol×K | 765.78 | Joback Calculated Property |
| Cp,gas | 319.54 | J/mol×K | 803.25 | Joback Calculated Property |
| Cp,gas | 325.75 | J/mol×K | 840.73 | Joback Calculated Property |
| Cp,gas | 331.55 | J/mol×K | 878.21 | Joback Calculated Property |
| η | [0.0000722; 0.0020723] | Pa×s | [395.60; 653.35] |
|
| η | 0.0020723 | Pa×s | 395.60 | Joback Calculated Property |
| η | 0.0009003 | Pa×s | 438.56 | Joback Calculated Property |
| η | 0.0004539 | Pa×s | 481.52 | Joback Calculated Property |
| η | 0.0002560 | Pa×s | 524.48 | Joback Calculated Property |
| η | 0.0001575 | Pa×s | 567.43 | Joback Calculated Property |
| η | 0.0001037 | Pa×s | 610.39 | Joback Calculated Property |
| η | 0.0000722 | Pa×s | 653.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Bromocinnamic acid.
Sources
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