- InChI
- InChI=1S/C8H7FO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
- InChI Key
- MGKPFALCNDRSQD-UHFFFAOYSA-N
- Formula
- C8H7FO2
- SMILES
- O=C(O)Cc1ccc(F)cc1
- Molecular Weight1
- 154.14
- CAS
- 405-50-5
- Other Names
-
- Acetic acid, (p-fluorophenyl)-
- (p-Fluorophenyl)acetic acid
- (4-Fluorophenyl)acetic acid
- Ba 2821
- 4-Fluorobenzeneacetic acid
- 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).
- Tboilr : Boiling point at reduced pressure (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° | -341.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -444.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.95 | kJ/mol | Joback Calculated Property |
| log10WS | -1.70 | Crippen Calculated Property | |
| logPoct/wat | 1.453 | Crippen Calculated Property | |
| McVol | 109.030 | ml/mol | McGowan Calculated Property |
| Pc | 4109.14 | kPa | Joback Calculated Property |
| Tboil | 559.42 | K | Joback Calculated Property |
| Tc | 757.03 | K | Joback Calculated Property |
| Tfus | 367.00 ± 3.00 | K | NIST |
| Vc | 0.418 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [244.17; 289.80] | J/mol×K | [559.42; 757.03] | 
|
| Cp,gas | 244.17 | J/mol×K | 559.42 | Joback Calculated Property |
| Cp,gas | 253.02 | J/mol×K | 592.36 | Joback Calculated Property |
| Cp,gas | 261.35 | J/mol×K | 625.29 | Joback Calculated Property |
| Cp,gas | 269.17 | J/mol×K | 658.23 | Joback Calculated Property |
| Cp,gas | 276.51 | J/mol×K | 691.16 | Joback Calculated Property |
| Cp,gas | 283.38 | J/mol×K | 724.10 | Joback Calculated Property |
| Cp,gas | 289.80 | J/mol×K | 757.03 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 437.20 | K | 0.30 | NIST |
Similar Compounds
Find more compounds similar to Benzeneacetic acid, 4-fluoro-.
Sources
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