- InChI
- InChI=1S/C9H5Cl3F2O2/c10-9(11,12)4-16-8(15)6-2-1-5(13)3-7(6)14/h1-3H,4H2
- InChI Key
- SZVGSWOLMKGTGH-UHFFFAOYSA-N
- Formula
- C9H5Cl3F2O2
- SMILES
- O=C(OCC(Cl)(Cl)Cl)c1ccc(F)cc1F
- Molecular Weight1
- 289.49
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5304 | Relay (... Calculated Property | |
| ΔfG° | -538.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -696.73 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.58 | kJ/mol | Relay (... Calculated Property |
| IE | 10.03 | eV | Relay (... Calculated Property |
| log10WS | -5.03 | Relay (... Calculated Property | |
| logPoct/wat | 3.492 | Crippen Calculated Property | |
| McVol | 161.610 | ml/mol | McGowan Calculated Property |
| Pc | 2721.17 | kPa | Joback Calculated Property |
| Inp | [1553.00; 1553.00] |
|
|
| Inp | 1553.00 | NIST | |
| Inp | 1553.00 | NIST | |
| Tboil | 539.82 | K | Relay (... Calculated Property |
| Tc | 765.32 | K | Relay (... Calculated Property |
| Tfus | 354.06 | K | Relay (... Calculated Property |
| Vc | 0.575 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [344.89; 388.78] | J/mol×K | [625.85; 848.15] |
|
| Cp,gas | 344.89 | J/mol×K | 625.85 | Joback Calculated Property |
| Cp,gas | 353.90 | J/mol×K | 662.90 | Joback Calculated Property |
| Cp,gas | 362.19 | J/mol×K | 699.95 | Joback Calculated Property |
| Cp,gas | 369.78 | J/mol×K | 737.00 | Joback Calculated Property |
| Cp,gas | 376.72 | J/mol×K | 774.05 | Joback Calculated Property |
| Cp,gas | 383.04 | J/mol×K | 811.10 | Joback Calculated Property |
| Cp,gas | 388.78 | J/mol×K | 848.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Difluorobenzoic acid, 2,2,2-trichloroethyl ester.
Sources
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