- InChI
- InChI=1S/C20H25Cl3O4/c1-2-3-4-5-6-7-8-9-12-26-18(24)10-11-19(25)27-17-14-15(21)13-16(22)20(17)23/h10-11,13-14H,2-9,12H2,1H3/b11-10+
- InChI Key
- LWPBKWZRDHPSKM-ZHACJKMWSA-N
- Formula
- C20H25Cl3O4
- SMILES
-
CCCCCCCCCCOC(=O)C=CC(=O)Oc1cc(
Cl)cc(Cl)c1Cl - Molecular Weight1
- 435.77
- 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 | -808.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.63 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.792 | Crippen Calculated Property | |
| McVol | 316.200 | ml/mol | McGowan Calculated Property |
| Inp | [2981.00; 2981.00] |
|
|
| Inp | 2981.00 | NIST | |
| Inp | 2981.00 | NIST | |
| Tboil | 650.89 | K | Relay (1.0) Calculated Property |
| Tfus | 316.97 | 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 | [912.03; 967.78] | J/mol×K | [931.71; 1147.80] |
|
| Cp,gas | 912.03 | J/mol×K | 931.71 | Joback Calculated Property |
| Cp,gas | 924.11 | J/mol×K | 967.72 | Joback Calculated Property |
| Cp,gas | 935.03 | J/mol×K | 1003.74 | Joback Calculated Property |
| Cp,gas | 944.81 | J/mol×K | 1039.75 | Joback Calculated Property |
| Cp,gas | 953.51 | J/mol×K | 1075.77 | Joback Calculated Property |
| Cp,gas | 961.15 | J/mol×K | 1111.78 | Joback Calculated Property |
| Cp,gas | 967.78 | J/mol×K | 1147.80 | Joback Calculated Property |
| η | [0.0000234; 0.0002876] | Pa×s | [548.48; 931.71] |
|
| η | 0.0002876 | Pa×s | 548.48 | Joback Calculated Property |
| η | 0.0001523 | Pa×s | 612.35 | Joback Calculated Property |
| η | 0.0000909 | Pa×s | 676.22 | Joback Calculated Property |
| η | 0.0000594 | Pa×s | 740.10 | Joback Calculated Property |
| η | 0.0000415 | Pa×s | 803.97 | Joback Calculated Property |
| η | 0.0000305 | Pa×s | 867.84 | Joback Calculated Property |
| η | 0.0000234 | Pa×s | 931.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, decyl 2,3,5-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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