- InChI
- InChI=1S/C13H11Cl3O4/c1-2-5-19-11(17)3-4-12(18)20-10-7-8(14)6-9(15)13(10)16/h3-4,6-7H,2,5H2,1H3
- InChI Key
- PSHHEPLAPIWQBF-UHFFFAOYSA-N
- Formula
- C13H11Cl3O4
- SMILES
-
CCCOC(=O)/C=C/C(=O)Oc1cc(Cl)cc
(Cl)c1Cl - Molecular Weight1
- 337.59
- 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 | -667.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.98 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.062 | Crippen Calculated Property | |
| McVol | 217.570 | ml/mol | McGowan Calculated Property |
| Inp | [2211.00; 2211.00] |
|
|
| Inp | 2211.00 | NIST | |
| Inp | 2211.00 | NIST | |
| Tboil | 604.12 | K | Relay (1.0) Calculated Property |
| Tfus | 335.39 | 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 | [524.87; 572.12] | J/mol×K | [771.55; 995.04] |
|
| Cp,gas | 524.87 | J/mol×K | 771.55 | Joback Calculated Property |
| Cp,gas | 535.03 | J/mol×K | 808.80 | Joback Calculated Property |
| Cp,gas | 544.25 | J/mol×K | 846.05 | Joback Calculated Property |
| Cp,gas | 552.55 | J/mol×K | 883.30 | Joback Calculated Property |
| Cp,gas | 559.96 | J/mol×K | 920.55 | Joback Calculated Property |
| Cp,gas | 566.47 | J/mol×K | 957.79 | Joback Calculated Property |
| Cp,gas | 572.12 | J/mol×K | 995.04 | Joback Calculated Property |
| η | [0.0000655; 0.0006137] | Pa×s | [469.59; 771.55] |
|
| η | 0.0006137 | Pa×s | 469.59 | Joback Calculated Property |
| η | 0.0003529 | Pa×s | 519.92 | Joback Calculated Property |
| η | 0.0002238 | Pa×s | 570.24 | Joback Calculated Property |
| η | 0.0001528 | Pa×s | 620.57 | Joback Calculated Property |
| η | 0.0001105 | Pa×s | 670.90 | Joback Calculated Property |
| η | 0.0000836 | Pa×s | 721.22 | Joback Calculated Property |
| η | 0.0000655 | Pa×s | 771.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, propyl 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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