- InChI
- InChI=1S/C29H46F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-40-24(38)20-21-25(39)41-23-27(32,33)29(36,37)28(34,35)26(30)31/h20-21,26H,2-19,22-23H2,1H3/b21-20+
- InChI Key
- LZGRDDZNNSUUJU-QZQOTICOSA-N
- Formula
- C29H46F8O4
- SMILES
-
CCCCCCCCCCCCCCCCCCCCOC(=O)C=CC
(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F )F - Molecular Weight1
- 610.66
- 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 | 1.3566 | Relay (... Calculated Property | |
| ΔfG° | -1746.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2709.88 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 75.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.50 | kJ/mol | Relay (... Calculated Property |
| IE | 10.59 | eV | Relay (... Calculated Property |
| log10WS | -10.03 | Relay (... Calculated Property | |
| logPoct/wat | 9.842 | Crippen Calculated Property | |
| McVol | 444.210 | ml/mol | McGowan Calculated Property |
| Pc | 579.80 | kPa | Joback Calculated Property |
| Inp | 2994.00 | NIST | |
| Tboil | 676.68 | K | Relay (... Calculated Property |
| Tc | 805.39 | K | Relay (... Calculated Property |
| Tfus | 332.72 | K | Relay (... Calculated Property |
| Vc | 1.660 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1563.49; 1688.60] | J/mol×K | [1003.69; 1274.03] | 
|
| Cp,gas | 1563.49 | J/mol×K | 1003.69 | Joback Calculated Property |
| Cp,gas | 1587.58 | J/mol×K | 1048.75 | Joback Calculated Property |
| Cp,gas | 1610.00 | J/mol×K | 1093.80 | Joback Calculated Property |
| Cp,gas | 1631.03 | J/mol×K | 1138.86 | Joback Calculated Property |
| Cp,gas | 1650.95 | J/mol×K | 1183.92 | Joback Calculated Property |
| Cp,gas | 1670.05 | J/mol×K | 1228.98 | Joback Calculated Property |
| Cp,gas | 1688.60 | J/mol×K | 1274.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, eicosyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.
Sources
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