- InChI
- InChI=1S/C22H27F5O4/c1-2-3-4-5-6-7-8-9-10-11-14-30-15(28)12-13-16(29)31-22-20(26)18(24)17(23)19(25)21(22)27/h12-13H,2-11,14H2,1H3/b13-12+
- InChI Key
- QJOUEYYAXHWNKI-OUKQBFOZSA-N
- Formula
- C22H27F5O4
- SMILES
-
CCCCCCCCCCCCOC(=O)C=CC(=O)Oc1c
(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 450.44
- 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° | -1163.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1671.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.34 | kJ/mol | Joback Calculated Property |
| log10WS | -8.02 | Crippen Calculated Property | |
| logPoct/wat | 6.308 | Crippen Calculated Property | |
| McVol | 316.510 | ml/mol | McGowan Calculated Property |
| Pc | 1004.62 | kPa | Joback Calculated Property |
| Inp | [2427.00; 2427.00] |
|
|
| Inp | 2427.00 | NIST | |
| Inp | 2427.00 | NIST | |
| Tboil | 907.43 | K | Joback Calculated Property |
| Tc | 1111.31 | K | Joback Calculated Property |
| Tfus | 568.91 | K | Joback Calculated Property |
| Vc | 1.278 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1002.81; 1074.83] | J/mol×K | [907.43; 1111.31] |
|
| Cp,gas | 1002.81 | J/mol×K | 907.43 | Joback Calculated Property |
| Cp,gas | 1017.59 | J/mol×K | 941.41 | Joback Calculated Property |
| Cp,gas | 1031.23 | J/mol×K | 975.39 | Joback Calculated Property |
| Cp,gas | 1043.75 | J/mol×K | 1009.37 | Joback Calculated Property |
| Cp,gas | 1055.18 | J/mol×K | 1043.35 | Joback Calculated Property |
| Cp,gas | 1065.53 | J/mol×K | 1077.33 | Joback Calculated Property |
| Cp,gas | 1074.83 | J/mol×K | 1111.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, dodecyl pentafluorophenyl ester.
Sources
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