- InChI
- InChI=1S/C16H20F8O4/c1-2-3-4-5-6-9-27-11(25)7-8-12(26)28-10-14(19,20)16(23,24)15(21,22)13(17)18/h7-8,13H,2-6,9-10H2,1H3/b8-7+
- InChI Key
- WINLQGHFBSYKHG-BQYQJAHWSA-N
- Formula
- C16H20F8O4
- SMILES
-
CCCCCCCOC(=O)C=CC(=O)OCC(F)(F)
C(F)(F)C(F)(F)C(F)F - Molecular Weight1
- 428.31
- 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 | 0.8790 | Relay (... Calculated Property | |
| ΔfG° | -1856.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2461.13 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 41.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.40 | kJ/mol | Relay (... Calculated Property |
| IE | 10.43 | eV | Relay (... Calculated Property |
| log10WS | -6.60 | Relay (... Calculated Property | |
| logPoct/wat | 4.770 | Crippen Calculated Property | |
| McVol | 261.040 | ml/mol | McGowan Calculated Property |
| Pc | 1184.97 | kPa | Joback Calculated Property |
| Inp | 1768.00 | NIST | |
| Tboil | 558.82 | K | Relay (... Calculated Property |
| Tc | 693.11 | K | Relay (... Calculated Property |
| Tfus | 296.23 | K | Relay (... Calculated Property |
| Vc | 0.967 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [780.02; 850.43] | J/mol×K | [706.25; 870.71] | 
|
| Cp,gas | 780.02 | J/mol×K | 706.25 | Joback Calculated Property |
| Cp,gas | 793.60 | J/mol×K | 733.66 | Joback Calculated Property |
| Cp,gas | 806.39 | J/mol×K | 761.07 | Joback Calculated Property |
| Cp,gas | 818.42 | J/mol×K | 788.48 | Joback Calculated Property |
| Cp,gas | 829.74 | J/mol×K | 815.89 | Joback Calculated Property |
| Cp,gas | 840.39 | J/mol×K | 843.30 | Joback Calculated Property |
| Cp,gas | 850.43 | J/mol×K | 870.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, heptyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.
Sources
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