- InChI
- InChI=1S/C13H10Cl4O4/c1-2-5-20-9(18)3-4-10(19)21-8-6-7(14)11(15)13(17)12(8)16/h3-4,6H,2,5H2,1H3/b4-3+
- InChI Key
- AEDTXMHHILJJGC-ONEGZZNKSA-N
- Formula
- C13H10Cl4O4
- SMILES
-
CCCOC(=O)C=CC(=O)Oc1cc(Cl)c(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 | -682.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.82 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.715 | Crippen Calculated Property | |
| McVol | 229.810 | ml/mol | McGowan Calculated Property |
| Inp | 2460.00 | NIST | |
| Tboil | 620.89 | K | Relay (1.0) Calculated Property |
| Tfus | 353.33 | 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 | [546.94; 587.71] | J/mol×K | [849.90; 1080.33] | 
|
| Cp,gas | 546.94 | J/mol×K | 849.90 | Joback Calculated Property |
| Cp,gas | 555.81 | J/mol×K | 888.31 | Joback Calculated Property |
| Cp,gas | 563.84 | J/mol×K | 926.71 | Joback Calculated Property |
| Cp,gas | 571.04 | J/mol×K | 965.12 | Joback Calculated Property |
| Cp,gas | 577.41 | J/mol×K | 1003.52 | Joback Calculated Property |
| Cp,gas | 582.97 | J/mol×K | 1041.93 | Joback Calculated Property |
| Cp,gas | 587.71 | J/mol×K | 1080.33 | Joback Calculated Property |
| η | [0.0000744; 0.0003618] | Pa×s | [571.69; 849.90] |
|
| η | 0.0003618 | Pa×s | 571.69 | Joback Calculated Property |
| η | 0.0002518 | Pa×s | 618.06 | Joback Calculated Property |
| η | 0.0001844 | Pa×s | 664.43 | Joback Calculated Property |
| η | 0.0001406 | Pa×s | 710.80 | Joback Calculated Property |
| η | 0.0001108 | Pa×s | 757.16 | Joback Calculated Property |
| η | 0.0000898 | Pa×s | 803.53 | Joback Calculated Property |
| η | 0.0000744 | Pa×s | 849.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, propyl 2,3,4,5-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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