- InChI
- InChI=1S/C21H26Cl4O4/c1-2-3-4-5-6-7-8-9-10-13-28-17(26)11-12-18(27)29-21-16(23)14-15(22)19(24)20(21)25/h11-12,14H,2-10,13H2,1H3/b12-11+
- InChI Key
- BAXHBOKGWTUNMQ-VAWYXSNFSA-N
- Formula
- C21H26Cl4O4
- SMILES
-
CCCCCCCCCCCOC(=O)C=CC(=O)Oc1c(
Cl)cc(Cl)c(Cl)c1Cl - Molecular Weight1
- 484.24
- 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 | -833.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.25 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 7.836 | Crippen Calculated Property | |
| McVol | 342.530 | ml/mol | McGowan Calculated Property |
| Inp | 3253.00 | NIST | |
| Tboil | 660.04 | K | Relay (1.0) Calculated Property |
| Tfus | 336.25 | 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 | [1000.08; 1050.00] | J/mol×K | [1032.94; 1265.38] | 
|
| Cp,gas | 1000.08 | J/mol×K | 1032.94 | Joback Calculated Property |
| Cp,gas | 1011.27 | J/mol×K | 1071.68 | Joback Calculated Property |
| Cp,gas | 1021.25 | J/mol×K | 1110.42 | Joback Calculated Property |
| Cp,gas | 1030.08 | J/mol×K | 1149.16 | Joback Calculated Property |
| Cp,gas | 1037.78 | J/mol×K | 1187.90 | Joback Calculated Property |
| Cp,gas | 1044.41 | J/mol×K | 1226.64 | Joback Calculated Property |
| Cp,gas | 1050.00 | J/mol×K | 1265.38 | Joback Calculated Property |
| η | [0.0000230; 0.0001549] | Pa×s | [661.85; 1032.94] |
|
| η | 0.0001549 | Pa×s | 661.85 | Joback Calculated Property |
| η | 0.0000984 | Pa×s | 723.70 | Joback Calculated Property |
| η | 0.0000671 | Pa×s | 785.55 | Joback Calculated Property |
| η | 0.0000484 | Pa×s | 847.39 | Joback Calculated Property |
| η | 0.0000365 | Pa×s | 909.24 | Joback Calculated Property |
| η | 0.0000286 | Pa×s | 971.09 | Joback Calculated Property |
| η | 0.0000230 | Pa×s | 1032.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,3,4,6-tetrachlorophenyl undecyl 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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