- InChI
- InChI=1S/C21H30F8O4/c1-2-3-4-5-6-7-8-9-10-11-14-32-16(30)12-13-17(31)33-15-19(24,25)21(28,29)20(26,27)18(22)23/h12-13,18H,2-11,14-15H2,1H3/b13-12+
- InChI Key
- KCGYJBSJSHBBMY-OUKQBFOZSA-N
- Formula
- C21H30F8O4
- SMILES
-
CCCCCCCCCCCCOC(=O)C=CC(=O)OCC(
F)(F)C(F)(F)C(F)(F)C(F)F - Molecular Weight1
- 498.45
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -1814.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2449.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.80 | kJ/mol | Joback Calculated Property |
| log10WS | -7.45 | Crippen Calculated Property | |
| logPoct/wat | 6.721 | Crippen Calculated Property | |
| McVol | 331.490 | ml/mol | McGowan Calculated Property |
| Pc | 872.74 | kPa | Joback Calculated Property |
| Inp | 2231.00 | NIST | |
| Tboil | 820.65 | K | Joback Calculated Property |
| Tc | 1005.15 | K | Joback Calculated Property |
| Tfus | 462.65 | K | Joback Calculated Property |
| Vc | 1.345 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1066.60; 1150.67] | J/mol×K | [820.65; 1005.15] | 
|
| Cp,gas | 1066.60 | J/mol×K | 820.65 | Joback Calculated Property |
| Cp,gas | 1082.85 | J/mol×K | 851.40 | Joback Calculated Property |
| Cp,gas | 1098.10 | J/mol×K | 882.15 | Joback Calculated Property |
| Cp,gas | 1112.44 | J/mol×K | 912.90 | Joback Calculated Property |
| Cp,gas | 1125.93 | J/mol×K | 943.65 | Joback Calculated Property |
| Cp,gas | 1138.65 | J/mol×K | 974.40 | Joback Calculated Property |
| Cp,gas | 1150.67 | J/mol×K | 1005.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, dodecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.
Sources
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