- InChI
- InChI=1S/C8H7FO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
- InChI Key
- RWCMOQXHIDWDDJ-UHFFFAOYSA-N
- Formula
- C8H7FO3
- SMILES
- O=C(O)C(O)c1ccc(F)cc1
- Molecular Weight1
- 170.14
- CAS
- 395-33-5
- Other Names
-
- Benzeneacetic acid, 4-fluoro-«alpha»-hydroxy-
- (dl) p-fluoromandelic 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).
- 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° | -480.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -601.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.24 | kJ/mol | Joback Calculated Property |
| log10WS | -1.43 | Crippen Calculated Property | |
| logPoct/wat | 0.944 | Crippen Calculated Property | |
| McVol | 114.900 | ml/mol | McGowan Calculated Property |
| Pc | 4691.31 | kPa | Joback Calculated Property |
| Tboil | 651.16 | K | Joback Calculated Property |
| Tc | 841.52 | K | Joback Calculated Property |
| Tfus | 376.02 | K | Joback Calculated Property |
| Vc | 0.431 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [285.45; 323.30] | J/mol×K | [651.16; 841.52] | 
|
| Cp,gas | 285.45 | J/mol×K | 651.16 | Joback Calculated Property |
| Cp,gas | 292.86 | J/mol×K | 682.89 | Joback Calculated Property |
| Cp,gas | 299.80 | J/mol×K | 714.61 | Joback Calculated Property |
| Cp,gas | 306.30 | J/mol×K | 746.34 | Joback Calculated Property |
| Cp,gas | 312.37 | J/mol×K | 778.07 | Joback Calculated Property |
| Cp,gas | 318.03 | J/mol×K | 809.79 | Joback Calculated Property |
| Cp,gas | 323.30 | J/mol×K | 841.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluoromandelic acid.
Sources
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