- InChI
- InChI=1S/C16H18Cl2O4/c1-11(2)4-3-7-21-15(19)5-6-16(20)22-14-9-12(17)8-13(18)10-14/h5-6,8-11H,3-4,7H2,1-2H3/b6-5+
- InChI Key
- OHLCSBOWTPMGNR-AATRIKPKSA-N
- Formula
- C16H18Cl2O4
- SMILES
-
CC(C)CCCOC(=O)C=CC(=O)Oc1cc(Cl
)cc(Cl)c1 - Molecular Weight1
- 345.22
- 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 | -729.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.99 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.434 | Crippen Calculated Property | |
| McVol | 247.600 | ml/mol | McGowan Calculated Property |
| Inp | [2378.00; 2378.00] |
|
|
| Inp | 2378.00 | NIST | |
| Inp | 2378.00 | NIST | |
| Tboil | 609.32 | K | Relay (1.0) Calculated Property |
| Tfus | 315.28 | 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 | [664.85; 725.39] | J/mol×K | [797.34; 1012.28] |
|
| Cp,gas | 664.85 | J/mol×K | 797.34 | Joback Calculated Property |
| Cp,gas | 677.53 | J/mol×K | 833.16 | Joback Calculated Property |
| Cp,gas | 689.13 | J/mol×K | 868.99 | Joback Calculated Property |
| Cp,gas | 699.69 | J/mol×K | 904.81 | Joback Calculated Property |
| Cp,gas | 709.23 | J/mol×K | 940.63 | Joback Calculated Property |
| Cp,gas | 717.79 | J/mol×K | 976.46 | Joback Calculated Property |
| Cp,gas | 725.39 | J/mol×K | 1012.28 | Joback Calculated Property |
| η | [0.0000453; 0.0007827] | Pa×s | [445.96; 797.34] |
|
| η | 0.0007827 | Pa×s | 445.96 | Joback Calculated Property |
| η | 0.0003695 | Pa×s | 504.52 | Joback Calculated Property |
| η | 0.0002039 | Pa×s | 563.09 | Joback Calculated Property |
| η | 0.0001258 | Pa×s | 621.65 | Joback Calculated Property |
| η | 0.0000844 | Pa×s | 680.21 | Joback Calculated Property |
| η | 0.0000603 | Pa×s | 738.78 | Joback Calculated Property |
| η | 0.0000453 | Pa×s | 797.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,5-dichlorophenyl isohexyl 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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