- InChI
- InChI=1S/C8H6ClFO2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
- InChI Key
- GUAIAAXDEJZRBP-UHFFFAOYSA-N
- Formula
- C8H6ClFO2
- SMILES
- O=C(O)Cc1c(F)cccc1Cl
- Molecular Weight1
- 188.58
- CAS
- 37777-76-7
- Other Names
-
- Benzeneacetic acid, 2-chloro-6-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° | -362.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -471.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.00 | kJ/mol | Joback Calculated Property |
| log10WS | -2.39 | Crippen Calculated Property | |
| logPoct/wat | 2.106 | Crippen Calculated Property | |
| McVol | 121.270 | ml/mol | McGowan Calculated Property |
| Pc | 3848.31 | kPa | Joback Calculated Property |
| Tboil | 601.83 | K | Joback Calculated Property |
| Tc | 804.64 | K | Joback Calculated Property |
| Tfus | 372.64 | K | Joback Calculated Property |
| Vc | 0.468 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [264.37; 305.03] | J/mol×K | [601.83; 804.64] | 
|
| Cp,gas | 264.37 | J/mol×K | 601.83 | Joback Calculated Property |
| Cp,gas | 272.31 | J/mol×K | 635.63 | Joback Calculated Property |
| Cp,gas | 279.76 | J/mol×K | 669.43 | Joback Calculated Property |
| Cp,gas | 286.74 | J/mol×K | 703.23 | Joback Calculated Property |
| Cp,gas | 293.27 | J/mol×K | 737.03 | Joback Calculated Property |
| Cp,gas | 299.36 | J/mol×K | 770.84 | Joback Calculated Property |
| Cp,gas | 305.03 | J/mol×K | 804.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloro-6-fluorophenylacetic acid.
Sources
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