- InChI
- InChI=1S/C25H33F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-33-18(31)15-16-19(32)34-25-23(29)21(27)20(26)22(28)24(25)30/h15-16H,2-14,17H2,1H3/b16-15+
- InChI Key
- YJRGIQAEPSJUOP-FOCLMDBBSA-N
- Formula
- C25H33F5O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C=CC(=O)O
c1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 492.52
- 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° | -1137.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1733.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 73.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.02 | kJ/mol | Joback Calculated Property |
| log10WS | -9.28 | Crippen Calculated Property | |
| logPoct/wat | 7.478 | Crippen Calculated Property | |
| McVol | 358.780 | ml/mol | McGowan Calculated Property |
| Pc | 843.58 | kPa | Joback Calculated Property |
| Inp | [2118.00; 2118.00] |
|
|
| Inp | 2118.00 | NIST | |
| Inp | 2118.00 | NIST | |
| Tboil | 976.07 | K | Joback Calculated Property |
| Tc | 1202.81 | K | Joback Calculated Property |
| Tfus | 602.72 | K | Joback Calculated Property |
| Vc | 1.446 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1184.66; 1260.94] | J/mol×K | [976.07; 1202.81] |
|
| Cp,gas | 1184.66 | J/mol×K | 976.07 | Joback Calculated Property |
| Cp,gas | 1201.00 | J/mol×K | 1013.86 | Joback Calculated Property |
| Cp,gas | 1215.83 | J/mol×K | 1051.65 | Joback Calculated Property |
| Cp,gas | 1229.19 | J/mol×K | 1089.44 | Joback Calculated Property |
| Cp,gas | 1241.14 | J/mol×K | 1127.23 | Joback Calculated Property |
| Cp,gas | 1251.71 | J/mol×K | 1165.02 | Joback Calculated Property |
| Cp,gas | 1260.94 | J/mol×K | 1202.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, pentadecyl pentafluorophenyl ester.
Sources
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