- InChI
- InChI=1S/C6H5F5O3/c1-14-4(13)2-3(12)5(7,8)6(9,10)11/h2H2,1H3
- InChI Key
- FGGMNRZYEBHEIR-UHFFFAOYSA-N
- Formula
- C6H5F5O3
- SMILES
- COC(=O)CC(=O)C(F)(F)C(F)(F)F
- Molecular Weight1
- 220.09
- CAS
- 104857-88-7
- 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).
- 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 | 0.4242 | Relay (1.0) Calculated Property | |
| ΔfG° | -1331.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1629.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.316 | Crippen Calculated Property | |
| McVol | 113.260 | ml/mol | McGowan Calculated Property |
| Pc | 2853.57 | kPa | Joback Calculated Property |
| Tboil | 387.89 | K | Relay (1.0) Calculated Property |
| Tc | 529.57 | K | Relay (1.0) Calculated Property |
| Tfus | 232.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.400 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [262.87; 309.16] | J/mol×K | [456.73; 622.27] | 
|
| Cp,gas | 262.87 | J/mol×K | 456.73 | Joback Calculated Property |
| Cp,gas | 271.85 | J/mol×K | 484.32 | Joback Calculated Property |
| Cp,gas | 280.29 | J/mol×K | 511.91 | Joback Calculated Property |
| Cp,gas | 288.23 | J/mol×K | 539.50 | Joback Calculated Property |
| Cp,gas | 295.67 | J/mol×K | 567.09 | Joback Calculated Property |
| Cp,gas | 302.64 | J/mol×K | 594.68 | Joback Calculated Property |
| Cp,gas | 309.16 | J/mol×K | 622.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl pentafluoropropionylacetate.
Sources
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