- InChI
- InChI=1S/C7H4F2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
- InChI Key
- GONAVIHGXFBTOZ-UHFFFAOYSA-N
- Formula
- C7H4F2O2
- SMILES
- O=C(O)c1cc(F)cc(F)c1
- Molecular Weight1
- 158.10
- CAS
- 455-40-3
- Other Names
-
- Benzoic acid, 3,5-difluoro-
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6591 | Relay (1.0) Calculated Property | |
| ΔfG° | -632.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -686.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.663 | Crippen Calculated Property | |
| McVol | 96.710 | ml/mol | McGowan Calculated Property |
| Pc | 3955.54 | kPa | Joback Calculated Property |
| Tboil | 490.82 | K | Relay (1.0) Calculated Property |
| Tc | 725.38 | K | Relay (1.0) Calculated Property |
| Tfus | 422.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.360 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [211.43; 251.80] | J/mol×K | [540.45; 752.30] | 
|
| Cp,gas | 211.43 | J/mol×K | 540.45 | Joback Calculated Property |
| Cp,gas | 219.39 | J/mol×K | 575.76 | Joback Calculated Property |
| Cp,gas | 226.82 | J/mol×K | 611.07 | Joback Calculated Property |
| Cp,gas | 233.76 | J/mol×K | 646.37 | Joback Calculated Property |
| Cp,gas | 240.21 | J/mol×K | 681.68 | Joback Calculated Property |
| Cp,gas | 246.22 | J/mol×K | 716.99 | Joback Calculated Property |
| Cp,gas | 251.80 | J/mol×K | 752.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Difluorobenzoic acid.
Sources
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