- InChI
- InChI=1S/C18H20Cl4O4/c1-2-3-4-5-6-7-10-25-14(23)8-9-15(24)26-18-13(20)11-12(19)16(21)17(18)22/h8-9,11H,2-7,10H2,1H3/b9-8+
- InChI Key
- FBMUHQGBYTWMGK-CMDGGOBGSA-N
- Formula
- C18H20Cl4O4
- SMILES
-
CCCCCCCCOC(=O)C=CC(=O)Oc1c(Cl)
cc(Cl)c(Cl)c1Cl - Molecular Weight1
- 442.16
- 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 | -767.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.22 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.665 | Crippen Calculated Property | |
| McVol | 300.260 | ml/mol | McGowan Calculated Property |
| Inp | 2928.00 | NIST | |
| Tboil | 639.10 | K | Relay (1.0) Calculated Property |
| Tfus | 333.66 | 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 | [816.75; 863.07] | J/mol×K | [928.36; 1148.58] | 
|
| Cp,gas | 816.75 | J/mol×K | 928.36 | Joback Calculated Property |
| Cp,gas | 827.14 | J/mol×K | 965.06 | Joback Calculated Property |
| Cp,gas | 836.42 | J/mol×K | 1001.77 | Joback Calculated Property |
| Cp,gas | 844.63 | J/mol×K | 1038.47 | Joback Calculated Property |
| Cp,gas | 851.78 | J/mol×K | 1075.17 | Joback Calculated Property |
| Cp,gas | 857.92 | J/mol×K | 1111.88 | Joback Calculated Property |
| Cp,gas | 863.07 | J/mol×K | 1148.58 | Joback Calculated Property |
| η | [0.0000273; 0.0002548] | Pa×s | [568.38; 928.36] |
|
| η | 0.0002548 | Pa×s | 568.38 | Joback Calculated Property |
| η | 0.0001470 | Pa×s | 628.38 | Joback Calculated Property |
| η | 0.0000933 | Pa×s | 688.37 | Joback Calculated Property |
| η | 0.0000637 | Pa×s | 748.37 | Joback Calculated Property |
| η | 0.0000461 | Pa×s | 808.37 | Joback Calculated Property |
| η | 0.0000348 | Pa×s | 868.36 | Joback Calculated Property |
| η | 0.0000273 | Pa×s | 928.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, octyl 2,3,4,6-tetrachlorophenyl 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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