- InChI
- InChI=1S/C7H4F2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
- InChI Key
- FPENCTDAQQQKNY-UHFFFAOYSA-N
- Formula
- C7H4F2O2
- SMILES
- O=C(O)c1ccc(F)c(F)c1
- Molecular Weight1
- 158.10
- CAS
- 455-86-7
- Other Names
-
- Benzoic acid, 3,4-difluoro-
- 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° | -554.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -631.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.57 | kJ/mol | Joback Calculated Property |
| log10WS | -2.20 | Crippen Calculated Property | |
| logPoct/wat | 1.663 | Crippen Calculated Property | |
| McVol | 96.710 | ml/mol | McGowan Calculated Property |
| Pc | 4305.56 | kPa | Joback Calculated Property |
| Tboil | 540.79 | K | Joback Calculated Property |
| Tc | 732.76 | K | Joback Calculated Property |
| Tfus | 332.04 | K | Joback Calculated Property |
| Vc | 0.381 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.83; 245.97] | J/mol×K | [540.79; 732.76] | 
|
| Cp,gas | 208.83 | J/mol×K | 540.79 | Joback Calculated Property |
| Cp,gas | 215.99 | J/mol×K | 572.79 | Joback Calculated Property |
| Cp,gas | 222.74 | J/mol×K | 604.78 | Joback Calculated Property |
| Cp,gas | 229.10 | J/mol×K | 636.78 | Joback Calculated Property |
| Cp,gas | 235.09 | J/mol×K | 668.77 | Joback Calculated Property |
| Cp,gas | 240.70 | J/mol×K | 700.77 | Joback Calculated Property |
| Cp,gas | 245.97 | J/mol×K | 732.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Difluorobenzoic acid.
Sources
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