- 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° | -1777.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2082.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.48 | 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 | 2111.94 | kPa | Joback Calculated Property |
| Tboil | 413.11 | K | Relay (1.0) Calculated Property |
| Tc | 550.30 | K | Relay (1.0) Calculated Property |
| Tfus | 232.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.532 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.46; 483.08] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.39800e+00 | |||
| Coefficient B | 1.14102e+00 | |||
| Coefficient C | -9.28300e-04 | |||
| Coefficient D | 2.72760e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 245.46 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 297.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 340.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 376.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 405.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 429.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 447.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 462.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 473.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 483.08 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl heptafluorobutanoylacetate.
Sources
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