- InChI
- InChI=1S/C8H5FO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
- InChI Key
- BBCQSMSCEJBIRD-UHFFFAOYSA-N
- Formula
- C8H5FO4
- SMILES
- O=C(O)c1cccc(F)c1C(=O)O
- Molecular Weight1
- 184.12
- CAS
- 1583-67-1
- Other Names
-
- 1,2-Benzenedicarboxylic acid, 3-fluoro-
- 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° | -616.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -720.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.03 | kJ/mol | Joback Calculated Property |
| log10WS | -1.92 | Crippen Calculated Property | |
| logPoct/wat | 1.222 | Crippen Calculated Property | |
| McVol | 116.470 | ml/mol | McGowan Calculated Property |
| Pc | 4959.33 | kPa | Joback Calculated Property |
| Tboil | 710.45 | K | Joback Calculated Property |
| Tc | 905.59 | K | Joback Calculated Property |
| Tfus | 453.47 | K | Joback Calculated Property |
| Vc | 0.444 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.80; 319.70] | J/mol×K | [710.45; 905.59] | 
|
| Cp,gas | 288.80 | J/mol×K | 710.45 | Joback Calculated Property |
| Cp,gas | 294.96 | J/mol×K | 742.97 | Joback Calculated Property |
| Cp,gas | 300.70 | J/mol×K | 775.50 | Joback Calculated Property |
| Cp,gas | 306.02 | J/mol×K | 808.02 | Joback Calculated Property |
| Cp,gas | 310.96 | J/mol×K | 840.54 | Joback Calculated Property |
| Cp,gas | 315.51 | J/mol×K | 873.07 | Joback Calculated Property |
| Cp,gas | 319.70 | J/mol×K | 905.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluorophthalic acid.
Sources
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