- InChI
- InChI=1S/C13H10Cl4O4/c1-2-5-20-9(18)3-4-10(19)21-13-8(15)6-7(14)11(16)12(13)17/h3-4,6H,2,5H2,1H3/b4-3+
- InChI Key
- YZQJZHDNIAAPNN-ONEGZZNKSA-N
- Formula
- C13H10Cl4O4
- SMILES
-
CCCOC(=O)C=CC(=O)Oc1c(Cl)cc(Cl
)c(Cl)c1Cl - Molecular Weight1
- 372.03
- 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 | -668.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.96 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.715 | Crippen Calculated Property | |
| McVol | 229.810 | ml/mol | McGowan Calculated Property |
| Inp | 2385.00 | NIST | |
| Tboil | 604.45 | K | Relay (1.0) Calculated Property |
| Tfus | 346.69 | 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 | [542.98; 582.86] | J/mol×K | [813.96; 1041.04] | 
|
| Cp,gas | 542.98 | J/mol×K | 813.96 | Joback Calculated Property |
| Cp,gas | 551.91 | J/mol×K | 851.81 | Joback Calculated Property |
| Cp,gas | 559.90 | J/mol×K | 889.65 | Joback Calculated Property |
| Cp,gas | 566.99 | J/mol×K | 927.50 | Joback Calculated Property |
| Cp,gas | 573.17 | J/mol×K | 965.34 | Joback Calculated Property |
| Cp,gas | 578.45 | J/mol×K | 1003.19 | Joback Calculated Property |
| Cp,gas | 582.86 | J/mol×K | 1041.04 | Joback Calculated Property |
| η | [0.0000572; 0.0004359] | Pa×s | [512.03; 813.96] |
|
| η | 0.0004359 | Pa×s | 512.03 | Joback Calculated Property |
| η | 0.0002671 | Pa×s | 562.35 | Joback Calculated Property |
| η | 0.0001773 | Pa×s | 612.67 | Joback Calculated Property |
| η | 0.0001253 | Pa×s | 663.00 | Joback Calculated Property |
| η | 0.0000930 | Pa×s | 713.32 | Joback Calculated Property |
| η | 0.0000718 | Pa×s | 763.64 | Joback Calculated Property |
| η | 0.0000572 | Pa×s | 813.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, propyl 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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