- InChI
- InChI=1S/C23H31Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-29-21(27)13-14-22(28)30-23-19(25)16-18(24)17-20(23)26/h13-14,16-17H,2-12,15H2,1H3/b14-13+
- InChI Key
- RFHVSCGCTYDDEL-BUHFOSPRSA-N
- Formula
- C23H31Cl3O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C=CC(=O)Oc1
c(Cl)cc(Cl)cc1Cl - Molecular Weight1
- 477.85
- 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 | -858.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.39 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 7.963 | Crippen Calculated Property | |
| McVol | 358.470 | ml/mol | McGowan Calculated Property |
| Inp | [3231.00; 3231.00] |
|
|
| Inp | 3231.00 | NIST | |
| Inp | 3231.00 | NIST | |
| Tboil | 651.93 | K | Relay (1.0) Calculated Property |
| Tfus | 326.48 | 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 | [1088.85; 1145.89] | J/mol×K | [1000.35; 1225.02] |
|
| Cp,gas | 1088.85 | J/mol×K | 1000.35 | Joback Calculated Property |
| Cp,gas | 1101.49 | J/mol×K | 1037.80 | Joback Calculated Property |
| Cp,gas | 1112.80 | J/mol×K | 1075.24 | Joback Calculated Property |
| Cp,gas | 1122.85 | J/mol×K | 1112.69 | Joback Calculated Property |
| Cp,gas | 1131.67 | J/mol×K | 1150.13 | Joback Calculated Property |
| Cp,gas | 1139.34 | J/mol×K | 1187.58 | Joback Calculated Property |
| Cp,gas | 1145.89 | J/mol×K | 1225.02 | Joback Calculated Property |
| η | [0.0000147; 0.0001979] | Pa×s | [582.29; 1000.35] |
|
| η | 0.0001979 | Pa×s | 582.29 | Joback Calculated Property |
| η | 0.0001018 | Pa×s | 651.97 | Joback Calculated Property |
| η | 0.0000595 | Pa×s | 721.64 | Joback Calculated Property |
| η | 0.0000382 | Pa×s | 791.32 | Joback Calculated Property |
| η | 0.0000264 | Pa×s | 861.00 | Joback Calculated Property |
| η | 0.0000192 | Pa×s | 930.67 | Joback Calculated Property |
| η | 0.0000147 | Pa×s | 1000.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4,6-trichlorophenyl tridecyl 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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