- InChI
- InChI=1S/C27H42F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-38-22(36)18-19-23(37)39-21-25(30,31)27(34,35)26(32,33)24(28)29/h18-19,24H,2-17,20-21H2,1H3/b19-18+
- InChI Key
- IXTVOXNTQCCHAU-VHEBQXMUSA-N
- Formula
- C27H42F8O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C=CC(=
O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F - Molecular Weight1
- 582.61
- 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° | -1763.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2573.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 70.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.15 | kJ/mol | Joback Calculated Property |
| log10WS | -9.96 | Crippen Calculated Property | |
| logPoct/wat | 9.062 | Crippen Calculated Property | |
| McVol | 416.030 | ml/mol | McGowan Calculated Property |
| Pc | 637.37 | kPa | Joback Calculated Property |
| Inp | 2793.00 | NIST | |
| Tboil | 957.93 | K | Joback Calculated Property |
| Tc | 1198.54 | K | Joback Calculated Property |
| Tfus | 530.27 | K | Joback Calculated Property |
| Vc | 1.681 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1435.74; 1546.64] | J/mol×K | [957.93; 1198.54] | 
|
| Cp,gas | 1435.74 | J/mol×K | 957.93 | Joback Calculated Property |
| Cp,gas | 1457.23 | J/mol×K | 998.03 | Joback Calculated Property |
| Cp,gas | 1477.27 | J/mol×K | 1038.13 | Joback Calculated Property |
| Cp,gas | 1496.03 | J/mol×K | 1078.23 | Joback Calculated Property |
| Cp,gas | 1513.73 | J/mol×K | 1118.33 | Joback Calculated Property |
| Cp,gas | 1530.53 | J/mol×K | 1158.44 | Joback Calculated Property |
| Cp,gas | 1546.64 | J/mol×K | 1198.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, octadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.
Sources
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