- InChI
- InChI=1S/C4HCl2F5O2/c5-3(9,4(6,10)11)2(7,8)1(12)13/h(H,12,13)
- InChI Key
- WVWCLNDERHVFSB-UHFFFAOYSA-N
- Formula
- C4HCl2F5O2
- SMILES
- O=C(O)C(F)(F)C(F)(Cl)C(F)(F)Cl
- Molecular Weight1
- 246.95
- Other Names
-
- 3,4-Dichloro-2,2,3,4,4-pentafluorobutyric acid
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1505.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.68 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.442 | Crippen Calculated Property | |
| McVol | 107.990 | ml/mol | McGowan Calculated Property |
| Tboil | 432.38 | K | Relay (1.0) Calculated Property |
| Tc | 607.30 | K | Relay (1.0) Calculated Property |
| Tfus | 325.70 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [243.17; 273.42] | J/mol×K | [498.15; 689.31] | 
|
| Cp,gas | 243.17 | J/mol×K | 498.15 | Joback Calculated Property |
| Cp,gas | 249.96 | J/mol×K | 530.01 | Joback Calculated Property |
| Cp,gas | 255.96 | J/mol×K | 561.87 | Joback Calculated Property |
| Cp,gas | 261.25 | J/mol×K | 593.73 | Joback Calculated Property |
| Cp,gas | 265.88 | J/mol×K | 625.59 | Joback Calculated Property |
| Cp,gas | 269.92 | J/mol×K | 657.45 | Joback Calculated Property |
| Cp,gas | 273.42 | J/mol×K | 689.31 | Joback Calculated Property |
| ΔvapH | 54.80 | kJ/mol | 414.50 | NIST |
Similar Compounds
Find more compounds similar to 3,4-Dichloro-2,2,3,4,4-pentaflurobutyric acid.
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
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