- InChI
- InChI=1S/C9H7FO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+
- InChI Key
- IOUDZAFBPDDAMK-AATRIKPKSA-N
- Formula
- C9H7FO2
- SMILES
- O=C(O)C=Cc1ccccc1F
- Molecular Weight1
- 166.15
- CAS
- 451-69-4
- Other Names
-
- Cinnamic acid, o-fluoro-
- o-Fluorocinnamic acid
- 3-(2-Fluorophenyl)propenoic acid
- 2-Fluorocinnamic acid
- 3-(2-Fluoro-phenyl)-acrylic acid
- 3-(2-Fluorophenyl)-2-propenoic acid
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6395 | Relay (1.0) Calculated Property | |
| ΔfG° | -252.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -461.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | NIST |
| log10WS | -2.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.924 | Crippen Calculated Property | |
| McVol | 118.820 | ml/mol | McGowan Calculated Property |
| Pc | 3886.79 | kPa | Joback Calculated Property |
| Tboil | 545.77 | K | Relay (1.0) Calculated Property |
| Tc | 753.99 | K | Relay (1.0) Calculated Property |
| Tfus | 400.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.407 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.26; 314.47] | J/mol×K | [586.46; 789.56] | 
|
| Cp,gas | 268.26 | J/mol×K | 586.46 | Joback Calculated Property |
| Cp,gas | 277.34 | J/mol×K | 620.31 | Joback Calculated Property |
| Cp,gas | 285.83 | J/mol×K | 654.16 | Joback Calculated Property |
| Cp,gas | 293.75 | J/mol×K | 688.01 | Joback Calculated Property |
| Cp,gas | 301.14 | J/mol×K | 721.86 | Joback Calculated Property |
| Cp,gas | 308.03 | J/mol×K | 755.71 | Joback Calculated Property |
| Cp,gas | 314.47 | J/mol×K | 789.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenoic acid, 3-(2-fluorophenyl)-.
Sources
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