- InChI
- InChI=1S/C10H9ClF2O2/c11-3-1-2-10(14)15-9-5-7(12)4-8(13)6-9/h4-6H,1-3H2
- InChI Key
- PHNMZHONLSFAFU-UHFFFAOYSA-N
- Formula
- C10H9ClF2O2
- SMILES
- O=C(CCCCl)Oc1cc(F)cc(F)c1
- Molecular Weight1
- 234.63
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -710.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.889 | Crippen Calculated Property | |
| McVol | 151.220 | ml/mol | McGowan Calculated Property |
| Inp | 1471.00 | NIST | |
| Tboil | 512.23 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [338.64; 397.25] | J/mol×K | [559.23; 755.92] | 
|
| Cp,gas | 338.64 | J/mol×K | 559.23 | Joback Calculated Property |
| Cp,gas | 349.95 | J/mol×K | 592.01 | Joback Calculated Property |
| Cp,gas | 360.63 | J/mol×K | 624.79 | Joback Calculated Property |
| Cp,gas | 370.69 | J/mol×K | 657.58 | Joback Calculated Property |
| Cp,gas | 380.14 | J/mol×K | 690.36 | Joback Calculated Property |
| Cp,gas | 388.99 | J/mol×K | 723.14 | Joback Calculated Property |
| Cp,gas | 397.25 | J/mol×K | 755.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobutyric acid, 3,5-difluophenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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