- InChI
- InChI=1S/C8H6F6O4/c9-7(10,11)3-17-5(15)1-2-6(16)18-4-8(12,13)14/h1-2H,3-4H2/b2-1+
- InChI Key
- KZTDZFZLDVZRCF-OWOJBTEDSA-N
- Formula
- C8H6F6O4
- SMILES
-
O=C(C=CC(=O)OCC(F)(F)F)OCC(F)(
F)F - Molecular Weight1
- 280.12
- CAS
- 352-28-3
- 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 | 0.6333 | Relay (1.0) Calculated Property | |
| ΔfG° | -1534.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1964.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.754 | Crippen Calculated Property | |
| McVol | 144.780 | ml/mol | McGowan Calculated Property |
| Pc | 2324.78 | kPa | Joback Calculated Property |
| Tboil | 446.00 | K | Relay (1.0) Calculated Property |
| Tc | 615.57 | K | Relay (1.0) Calculated Property |
| Tfus | 333.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.546 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [360.34; 409.30] | J/mol×K | [528.34; 691.34] | 
|
| Cp,gas | 360.34 | J/mol×K | 528.34 | Joback Calculated Property |
| Cp,gas | 369.82 | J/mol×K | 555.51 | Joback Calculated Property |
| Cp,gas | 378.74 | J/mol×K | 582.67 | Joback Calculated Property |
| Cp,gas | 387.12 | J/mol×K | 609.84 | Joback Calculated Property |
| Cp,gas | 395.00 | J/mol×K | 637.01 | Joback Calculated Property |
| Cp,gas | 402.38 | J/mol×K | 664.17 | Joback Calculated Property |
| Cp,gas | 409.30 | J/mol×K | 691.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, bis-(2,2,2-trifluoroethyl)ester-.
Sources
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