- InChI
- InChI=1S/C8H6ClF5O4/c9-7(10,11)5(15)17-3-1-2-4-18-6(16)8(12,13)14/h1-2H,3-4H2/b2-1+
- InChI Key
- BZTKEZPVZFFBRS-OWOJBTEDSA-N
- Formula
- C8H6ClF5O4
- SMILES
-
O=C(OCC=CCOC(=O)C(F)(F)Cl)C(F)
(F)F - Molecular Weight1
- 296.58
- 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 | -1707.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.75 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.023 | Crippen Calculated Property | |
| McVol | 155.250 | ml/mol | McGowan Calculated Property |
| Inp | [1248.00; 1248.00] |
|
|
| Inp | 1248.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Tboil | 441.23 | 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 | [376.79; 423.21] | J/mol×K | [566.50; 741.54] |
|
| Cp,gas | 376.79 | J/mol×K | 566.50 | Joback Calculated Property |
| Cp,gas | 385.94 | J/mol×K | 595.67 | Joback Calculated Property |
| Cp,gas | 394.48 | J/mol×K | 624.85 | Joback Calculated Property |
| Cp,gas | 402.45 | J/mol×K | 654.02 | Joback Calculated Property |
| Cp,gas | 409.88 | J/mol×K | 683.19 | Joback Calculated Property |
| Cp,gas | 416.79 | J/mol×K | 712.37 | Joback Calculated Property |
| Cp,gas | 423.21 | J/mol×K | 741.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butene-1,4-diol, O-chlorodifluoroacetate-O'-trifluoroacetate-.
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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