- InChI
- InChI=1S/C9H7FO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,(H,11,12)/b8-6-
- InChI Key
- QONCEXMULRJPPY-VURMDHGXSA-N
- Formula
- C9H7FO2
- SMILES
- O=C(O)C(F)=Cc1ccccc1
- Molecular Weight1
- 166.15
- CAS
- 350-90-3
- Other Names
-
- 2-Propenoic acid, 2-fluoro-3-phenyl-
- Cinnamic acid, «alpha»-fluoro-
- alpha-Fluorocinnamic acid
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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 |
|---|---|---|---|
| ΔcH°solid | -4240.69 | kJ/mol | NIST |
| ΔfG° | -251.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -346.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.55 | kJ/mol | Joback Calculated Property |
| log10WS | -2.16 | Crippen Calculated Property | |
| logPoct/wat | 2.082 | Crippen Calculated Property | |
| McVol | 118.820 | ml/mol | McGowan Calculated Property |
| Pc | 3985.56 | kPa | Joback Calculated Property |
| Tboil | 563.20 | K | NIST |
| Tc | 786.96 | K | Joback Calculated Property |
| Tfus | 309.91 | K | Joback Calculated Property |
| Vc | 0.456 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [269.19; 316.81] | J/mol×K | [581.36; 786.96] | 
|
| Cp,gas | 269.19 | J/mol×K | 581.36 | Joback Calculated Property |
| Cp,gas | 278.65 | J/mol×K | 615.63 | Joback Calculated Property |
| Cp,gas | 287.45 | J/mol×K | 649.89 | Joback Calculated Property |
| Cp,gas | 295.62 | J/mol×K | 684.16 | Joback Calculated Property |
| Cp,gas | 303.21 | J/mol×K | 718.43 | Joback Calculated Property |
| Cp,gas | 310.26 | J/mol×K | 752.69 | Joback Calculated Property |
| Cp,gas | 316.81 | J/mol×K | 786.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Fluorocinnamic acid.
Sources
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