- InChI
- InChI=1S/C14H11F5O4/c1-6(2)5-22-7(20)3-4-8(21)23-14-12(18)10(16)9(15)11(17)13(14)19/h3-4,6H,5H2,1-2H3/b4-3+
- InChI Key
- CPCPEQPLOBNXGY-ONEGZZNKSA-N
- Formula
- C14H11F5O4
- SMILES
-
CC(C)COC(=O)C=CC(=O)Oc1c(F)c(F
)c(F)c(F)c1F - Molecular Weight1
- 338.23
- 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 | 0.7707 | Relay (1.0) Calculated Property | |
| ΔfG° | -1232.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1413.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.043 | Crippen Calculated Property | |
| McVol | 203.790 | ml/mol | McGowan Calculated Property |
| Pc | 1766.90 | kPa | Joback Calculated Property |
| Inp | 1601.00 | NIST | |
| Tboil | 529.37 | K | Relay (1.0) Calculated Property |
| Tc | 721.57 | K | Relay (1.0) Calculated Property |
| Tfus | 315.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.740 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [552.01; 608.68] | J/mol×K | [723.95; 908.85] | 
|
| Cp,gas | 552.01 | J/mol×K | 723.95 | Joback Calculated Property |
| Cp,gas | 563.05 | J/mol×K | 754.77 | Joback Calculated Property |
| Cp,gas | 573.44 | J/mol×K | 785.58 | Joback Calculated Property |
| Cp,gas | 583.21 | J/mol×K | 816.40 | Joback Calculated Property |
| Cp,gas | 592.33 | J/mol×K | 847.22 | Joback Calculated Property |
| Cp,gas | 600.83 | J/mol×K | 878.03 | Joback Calculated Property |
| Cp,gas | 608.68 | J/mol×K | 908.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, isobutyl pentafluorophenyl ester.
Sources
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