- InChI
- InChI=1S/C9H9FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)
- InChI Key
- ZMKXWDPUXLPHCA-UHFFFAOYSA-N
- Formula
- C9H9FO2
- SMILES
- O=C(O)CCc1ccc(F)cc1
- Molecular Weight1
- 168.16
- CAS
- 459-31-4
- 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° | -332.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -464.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.17 | kJ/mol | Joback Calculated Property |
| log10WS | -2.12 | Crippen Calculated Property | |
| logPoct/wat | 1.843 | Crippen Calculated Property | |
| McVol | 123.120 | ml/mol | McGowan Calculated Property |
| Pc | 3646.53 | kPa | Joback Calculated Property |
| Tboil | 582.30 | K | Joback Calculated Property |
| Tc | 777.28 | K | Joback Calculated Property |
| Tfus | 341.47 | K | Joback Calculated Property |
| Vc | 0.474 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.69; 339.19] | J/mol×K | [582.30; 777.28] | 
|
| Cp,gas | 288.69 | J/mol×K | 582.30 | Joback Calculated Property |
| Cp,gas | 298.45 | J/mol×K | 614.80 | Joback Calculated Property |
| Cp,gas | 307.65 | J/mol×K | 647.29 | Joback Calculated Property |
| Cp,gas | 316.30 | J/mol×K | 679.79 | Joback Calculated Property |
| Cp,gas | 324.43 | J/mol×K | 712.28 | Joback Calculated Property |
| Cp,gas | 332.05 | J/mol×K | 744.78 | Joback Calculated Property |
| Cp,gas | 339.19 | J/mol×K | 777.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(4-Fluorophenyl)propionic acid.
Sources
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