- InChI
- InChI=1S/C8H3Cl2F3O2/c9-5-2-1-4(3-6(5)10)15-7(14)8(11,12)13/h1-3H
- InChI Key
- ILDUZPKFXXMMCB-UHFFFAOYSA-N
- Formula
- C8H3Cl2F3O2
- SMILES
- O=C(Oc1ccc(Cl)c(Cl)c1)C(F)(F)F
- Molecular Weight1
- 259.01
- CAS
- 959227-64-6
- Other Names
-
- Trifluoroacetic acid, 3,4-dichlorophenyl ester
- 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).
- Inp : Non-polar retention indices.
- 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° | -729.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -868.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.18 | kJ/mol | Joback Calculated Property |
| log10WS | -3.82 | Crippen Calculated Property | |
| logPoct/wat | 3.461 | Crippen Calculated Property | |
| McVol | 137.050 | ml/mol | McGowan Calculated Property |
| Pc | 2989.32 | kPa | Joback Calculated Property |
| Inp | 992.00 | NIST | |
| Tboil | 564.81 | K | Joback Calculated Property |
| Tc | 776.60 | K | Joback Calculated Property |
| Tfus | 367.57 | K | Joback Calculated Property |
| Vc | 0.540 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.51; 329.45] | J/mol×K | [564.81; 776.60] | 
|
| Cp,gas | 287.51 | J/mol×K | 564.81 | Joback Calculated Property |
| Cp,gas | 296.00 | J/mol×K | 600.11 | Joback Calculated Property |
| Cp,gas | 303.86 | J/mol×K | 635.41 | Joback Calculated Property |
| Cp,gas | 311.11 | J/mol×K | 670.70 | Joback Calculated Property |
| Cp,gas | 317.77 | J/mol×K | 706.00 | Joback Calculated Property |
| Cp,gas | 323.87 | J/mol×K | 741.30 | Joback Calculated Property |
| Cp,gas | 329.45 | J/mol×K | 776.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dichlorophenol, trifluoroacetate.
Sources
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