- InChI
- InChI=1S/C20H34Cl2O4/c21-15-9-5-1-3-7-11-17-25-19(23)13-14-20(24)26-18-12-8-4-2-6-10-16-22/h13-14H,1-12,15-18H2/b14-13+
- InChI Key
- QMQZGFHUZRFAIY-BUHFOSPRSA-N
- Formula
- C20H34Cl2O4
- SMILES
-
O=C(/C=C/C(=O)OCCCCCCCCCl)OCCC
CCCCCCl - Molecular Weight1
- 409.39
- 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).
- 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 | -1018.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.09 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.788 | Crippen Calculated Property | |
| McVol | 327.720 | ml/mol | McGowan Calculated Property |
| Tboil | 634.88 | K | Relay (1.0) Calculated Property |
| Tfus | 332.98 | 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 | [989.22; 1068.93] | J/mol×K | [852.66; 1045.66] | 
|
| Cp,gas | 989.22 | J/mol×K | 852.66 | Joback Calculated Property |
| Cp,gas | 1005.12 | J/mol×K | 884.83 | Joback Calculated Property |
| Cp,gas | 1019.92 | J/mol×K | 916.99 | Joback Calculated Property |
| Cp,gas | 1033.66 | J/mol×K | 949.16 | Joback Calculated Property |
| Cp,gas | 1046.39 | J/mol×K | 981.32 | Joback Calculated Property |
| Cp,gas | 1058.13 | J/mol×K | 1013.49 | Joback Calculated Property |
| Cp,gas | 1068.93 | J/mol×K | 1045.66 | Joback Calculated Property |
| η | [0.0000261; 0.0007666] | Pa×s | [454.58; 852.66] |
|
| η | 0.0007666 | Pa×s | 454.58 | Joback Calculated Property |
| η | 0.0003048 | Pa×s | 520.93 | Joback Calculated Property |
| η | 0.0001493 | Pa×s | 587.27 | Joback Calculated Property |
| η | 0.0000845 | Pa×s | 653.62 | Joback Calculated Property |
| η | 0.0000531 | Pa×s | 719.97 | Joback Calculated Property |
| η | 0.0000361 | Pa×s | 786.31 | Joback Calculated Property |
| η | 0.0000261 | Pa×s | 852.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, di(8-chlorooctyl) 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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