- InChI
- InChI=1S/C16H15Cl5O4/c1-8(2)4-3-7-24-9(22)5-6-10(23)25-16-14(20)12(18)11(17)13(19)15(16)21/h5-6,8H,3-4,7H2,1-2H3/b6-5+
- InChI Key
- BYHQDWGIFGHXMT-AATRIKPKSA-N
- Formula
- C16H15Cl5O4
- SMILES
-
CC(C)CCCOC(=O)C=CC(=O)Oc1c(Cl)
c(Cl)c(Cl)c(Cl)c1Cl - Molecular Weight1
- 448.55
- 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 | -742.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.44 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.395 | Crippen Calculated Property | |
| McVol | 284.320 | ml/mol | McGowan Calculated Property |
| Inp | 2867.00 | NIST | |
| Tboil | 648.82 | K | Relay (1.0) Calculated Property |
| Tfus | 381.77 | 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 | [722.38; 758.68] | J/mol×K | [924.57; 1152.56] | 
|
| Cp,gas | 722.38 | J/mol×K | 924.57 | Joback Calculated Property |
| Cp,gas | 731.08 | J/mol×K | 962.57 | Joback Calculated Property |
| Cp,gas | 738.69 | J/mol×K | 1000.57 | Joback Calculated Property |
| Cp,gas | 745.24 | J/mol×K | 1038.56 | Joback Calculated Property |
| Cp,gas | 750.74 | J/mol×K | 1076.56 | Joback Calculated Property |
| Cp,gas | 755.21 | J/mol×K | 1114.56 | Joback Calculated Property |
| Cp,gas | 758.68 | J/mol×K | 1152.56 | Joback Calculated Property |
| η | [0.0000290; 0.0002488] | Pa×s | [573.28; 924.57] |
|
| η | 0.0002488 | Pa×s | 573.28 | Joback Calculated Property |
| η | 0.0001473 | Pa×s | 631.83 | Joback Calculated Property |
| η | 0.0000953 | Pa×s | 690.38 | Joback Calculated Property |
| η | 0.0000660 | Pa×s | 748.92 | Joback Calculated Property |
| η | 0.0000482 | Pa×s | 807.47 | Joback Calculated Property |
| η | 0.0000367 | Pa×s | 866.02 | Joback Calculated Property |
| η | 0.0000290 | Pa×s | 924.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, isohexyl pentachlorophenyl 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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