- InChI
- InChI=1S/C8H6F2O2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12)
- InChI Key
- YCAKYFIYUHHCKW-UHFFFAOYSA-N
- Formula
- C8H6F2O2
- SMILES
- O=C(O)Cc1ccc(F)c(F)c1
- Molecular Weight1
- 172.13
- CAS
- 658-93-5
- Other Names
-
- Benzeneacetic 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° | -545.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -651.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.79 | kJ/mol | Joback Calculated Property |
| log10WS | -2.04 | Crippen Calculated Property | |
| logPoct/wat | 1.592 | Crippen Calculated Property | |
| McVol | 110.800 | ml/mol | McGowan Calculated Property |
| Pc | 3810.39 | kPa | Joback Calculated Property |
| Tboil | 563.67 | K | Joback Calculated Property |
| Tc | 753.30 | K | Joback Calculated Property |
| Tfus | 343.31 | K | Joback Calculated Property |
| Vc | 0.436 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.48; 294.04] | J/mol×K | [563.67; 753.30] | 
|
| Cp,gas | 251.48 | J/mol×K | 563.67 | Joback Calculated Property |
| Cp,gas | 259.65 | J/mol×K | 595.28 | Joback Calculated Property |
| Cp,gas | 267.37 | J/mol×K | 626.88 | Joback Calculated Property |
| Cp,gas | 274.66 | J/mol×K | 658.49 | Joback Calculated Property |
| Cp,gas | 281.52 | J/mol×K | 690.09 | Joback Calculated Property |
| Cp,gas | 287.98 | J/mol×K | 721.70 | Joback Calculated Property |
| Cp,gas | 294.04 | J/mol×K | 753.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Difluorophenylacetic acid.
Sources
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