- InChI
- InChI=1S/C8H7F7O3/c1-2-18-5(17)3-4(16)6(9,10)7(11,12)8(13,14)15/h2-3H2,1H3
- InChI Key
- CMGCMFZWEPCGSQ-UHFFFAOYSA-N
- Formula
- C8H7F7O3
- SMILES
-
CCOC(=O)CC(=O)C(F)(F)C(F)(F)C(
F)(F)F - Molecular Weight1
- 284.13
- CAS
- 336-62-9
- Other Names
-
- Ethyl heptafluorobutyrylacetate
- 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 | 0.5051 | Relay (1.0) Calculated Property | |
| ΔfG° | -1701.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2082.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.342 | Crippen Calculated Property | |
| McVol | 144.980 | ml/mol | McGowan Calculated Property |
| Pc | 2193.84 | kPa | Joback Calculated Property |
| Tboil | 413.11 | K | Relay (1.0) Calculated Property |
| Tc | 547.94 | K | Relay (1.0) Calculated Property |
| Tfus | 233.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.531 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [366.41; 420.32] | J/mol×K | [497.80; 655.68] | 
|
| Cp,gas | 366.41 | J/mol×K | 497.80 | Joback Calculated Property |
| Cp,gas | 376.94 | J/mol×K | 524.11 | Joback Calculated Property |
| Cp,gas | 386.81 | J/mol×K | 550.43 | Joback Calculated Property |
| Cp,gas | 396.06 | J/mol×K | 576.74 | Joback Calculated Property |
| Cp,gas | 404.71 | J/mol×K | 603.06 | Joback Calculated Property |
| Cp,gas | 412.78 | J/mol×K | 629.37 | Joback Calculated Property |
| Cp,gas | 420.32 | J/mol×K | 655.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl heptafluorobutanoylacetate.
Sources
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