- InChI
- InChI=1S/C26H37Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-32-24(30)16-17-25(31)33-26-22(28)19-21(27)20-23(26)29/h16-17,19-20H,2-15,18H2,1H3/b17-16+
- InChI Key
- OERIBWCXCWLROJ-WUKNDPDISA-N
- Formula
- C26H37Cl3O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C=CC(=O)
Oc1c(Cl)cc(Cl)cc1Cl - Molecular Weight1
- 519.93
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -925.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 77.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 142.11 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 9.133 | Crippen Calculated Property | |
| McVol | 400.740 | ml/mol | McGowan Calculated Property |
| Inp | [3547.00; 3547.00] |
|
|
| Inp | 3547.00 | NIST | |
| Inp | 3547.00 | NIST | |
| Tboil | 672.50 | K | Relay (1.0) Calculated Property |
| Tfus | 330.51 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1270.06; 1327.98] | J/mol×K | [1068.99; 1311.60] |
|
| Cp,gas | 1270.06 | J/mol×K | 1068.99 | Joback Calculated Property |
| Cp,gas | 1283.36 | J/mol×K | 1109.43 | Joback Calculated Property |
| Cp,gas | 1295.09 | J/mol×K | 1149.86 | Joback Calculated Property |
| Cp,gas | 1305.34 | J/mol×K | 1190.30 | Joback Calculated Property |
| Cp,gas | 1314.18 | J/mol×K | 1230.73 | Joback Calculated Property |
| Cp,gas | 1321.70 | J/mol×K | 1271.17 | Joback Calculated Property |
| Cp,gas | 1327.98 | J/mol×K | 1311.60 | Joback Calculated Property |
| η | [0.0000091; 0.0001332] | Pa×s | [616.10; 1068.99] |
|
| η | 0.0001332 | Pa×s | 616.10 | Joback Calculated Property |
| η | 0.0000667 | Pa×s | 691.58 | Joback Calculated Property |
| η | 0.0000382 | Pa×s | 767.06 | Joback Calculated Property |
| η | 0.0000242 | Pa×s | 842.55 | Joback Calculated Property |
| η | 0.0000165 | Pa×s | 918.03 | Joback Calculated Property |
| η | 0.0000120 | Pa×s | 993.51 | Joback Calculated Property |
| η | 0.0000091 | Pa×s | 1068.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, hexadecyl 2,4,6-trichlorophenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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