- InChI
- InChI=1S/C22H32F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-33-17(31)13-14-18(32)34-16-20(25,26)22(29,30)21(27,28)19(23)24/h13-14,19H,2-12,15-16H2,1H3/b14-13+
- InChI Key
- HHMPJJXUNFZZFT-BUHFOSPRSA-N
- Formula
- C22H32F8O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C=CC(=O)OCC
(F)(F)C(F)(F)C(F)(F)C(F)F - Molecular Weight1
- 512.47
- 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° | -1805.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2470.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.02 | kJ/mol | Joback Calculated Property |
| log10WS | -7.87 | Crippen Calculated Property | |
| logPoct/wat | 7.111 | Crippen Calculated Property | |
| McVol | 345.580 | ml/mol | McGowan Calculated Property |
| Pc | 825.26 | kPa | Joback Calculated Property |
| Inp | 2325.00 | NIST | |
| Tboil | 843.53 | K | Joback Calculated Property |
| Tc | 1034.55 | K | Joback Calculated Property |
| Tfus | 473.92 | K | Joback Calculated Property |
| Vc | 1.401 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1126.45; 1213.90] | J/mol×K | [843.53; 1034.55] | 
|
| Cp,gas | 1126.45 | J/mol×K | 843.53 | Joback Calculated Property |
| Cp,gas | 1143.36 | J/mol×K | 875.37 | Joback Calculated Property |
| Cp,gas | 1159.24 | J/mol×K | 907.20 | Joback Calculated Property |
| Cp,gas | 1174.14 | J/mol×K | 939.04 | Joback Calculated Property |
| Cp,gas | 1188.16 | J/mol×K | 970.87 | Joback Calculated Property |
| Cp,gas | 1201.39 | J/mol×K | 1002.71 | Joback Calculated Property |
| Cp,gas | 1213.90 | J/mol×K | 1034.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl tridecyl ester.
Sources
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