- 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).
- 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 | -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 |
| Inp | [3080.00; 3080.00] |
|
|
| Inp | 3080.00 | NIST | |
| Inp | 3080.00 | NIST | |
| 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [475.24; 1053.33] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.71260e+01 | |||
| Coefficient B | 1.82780e+00 | |||
| Coefficient C | -9.99600e-04 | |||
| Coefficient D | 1.78000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 475.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 576.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 667.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 747.95 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 819.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 881.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 935.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 981.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1020.90 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1053.33 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007666; 0.0000493] | Pa×s | [454.58; 731.96] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.44153e+01 | |||
| Coefficient B | 3.29196e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 454.58 | |||
| Temperature range, max. | 731.96 | |||
| η | 0.0007666 | Pa×s | 454.58 | Calculated Property |
| η | 0.0004840 | Pa×s | 485.40 | Calculated Property |
| η | 0.0003229 | Pa×s | 516.22 | Calculated Property |
| η | 0.0002254 | Pa×s | 547.04 | Calculated Property |
| η | 0.0001635 | Pa×s | 577.86 | Calculated Property |
| η | 0.0001226 | Pa×s | 608.68 | Calculated Property |
| η | 0.0000944 | Pa×s | 639.50 | Calculated Property |
| η | 0.0000745 | Pa×s | 670.32 | Calculated Property |
| η | 0.0000601 | Pa×s | 701.14 | Calculated Property |
| η | 0.0000493 | Pa×s | 731.96 | 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
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