- 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
- 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 | 0.4156 | Relay (1.0) Calculated Property | |
| ΔfG° | -1493.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1786.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.549 | Crippen Calculated Property | |
| McVol | 125.020 | ml/mol | McGowan Calculated Property |
| Pc | 2356.49 | kPa | Joback Calculated Property |
| Inp | 724.10 | NIST | |
| Tboil | 379.01 | K | Relay (1.0) Calculated Property |
| Tc | 503.85 | K | Relay (1.0) Calculated Property |
| Tfus | 197.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.451 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.52; 341.18] | J/mol×K | [417.73; 568.69] | 
|
| Cp,gas | 287.52 | J/mol×K | 417.73 | Joback Calculated Property |
| Cp,gas | 297.98 | J/mol×K | 442.89 | Joback Calculated Property |
| Cp,gas | 307.80 | J/mol×K | 468.05 | Joback Calculated Property |
| Cp,gas | 317.00 | J/mol×K | 493.21 | Joback Calculated Property |
| Cp,gas | 325.61 | J/mol×K | 518.37 | Joback Calculated Property |
| Cp,gas | 333.66 | J/mol×K | 543.53 | Joback Calculated Property |
| Cp,gas | 341.18 | J/mol×K | 568.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, heptafluoro-, 2-propenyl ester.
Sources
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