- InChI
- InChI=1S/C7H5F7O2/c1-2-3-16-4(15)5(8,9)6(10,11)7(12,13)14/h2H,1,3H2
- InChI Key
- JFBHYYDXTQBWAL-UHFFFAOYSA-N
- Formula
- C7H5F7O2
- SMILES
-
C=CCOC(=O)C(F)(F)C(F)(F)C(F)(F
)F - Molecular Weight1
- 254.10
- CAS
- 17165-55-8
- Other Names
-
- Heptafluorobutyric acid, 2-propenyl ester
- Allyl 2,2,3,3,4,4,4-heptafluorobutanoate
- Allyl alcohol, heptafluorobutyrate
- Allyl heptafluorobutyrate
- Allyl perfluorobutyrate
- Butyric acid, heptafluoro-, allyl ester
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1786.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.82 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.549 | Crippen Calculated Property | |
| McVol | 125.020 | ml/mol | McGowan Calculated Property |
| Tboil | 379.01 | 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 | [281.60; 337.87] | J/mol×K | [399.86; 547.26] | 
|
| Cp,gas | 281.60 | J/mol×K | 399.86 | Joback Calculated Property |
| Cp,gas | 292.56 | J/mol×K | 424.43 | Joback Calculated Property |
| Cp,gas | 302.84 | J/mol×K | 448.99 | Joback Calculated Property |
| Cp,gas | 312.49 | J/mol×K | 473.56 | Joback Calculated Property |
| Cp,gas | 321.53 | J/mol×K | 498.12 | Joback Calculated Property |
| Cp,gas | 329.98 | J/mol×K | 522.69 | Joback Calculated Property |
| Cp,gas | 337.87 | J/mol×K | 547.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, heptafluoro-, 2-propenyl 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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