- InChI
- InChI=1S/C24H42Cl2O4/c25-19-13-9-5-1-3-7-11-15-21-29-23(27)17-18-24(28)30-22-16-12-8-4-2-6-10-14-20-26/h17-18H,1-16,19-22H2/b18-17+
- InChI Key
- QQCGGPBFZAAEAI-ISLYRVAYSA-N
- Formula
- C24H42Cl2O4
- SMILES
-
O=C(/C=C/C(=O)OCCCCCCCCCCCl)OC
CCCCCCCCCCl - Molecular Weight1
- 465.50
- 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 | -1103.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 75.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 139.90 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 7.348 | Crippen Calculated Property | |
| McVol | 384.080 | ml/mol | McGowan Calculated Property |
| Inp | [3469.00; 3469.00] |
|
|
| Inp | 3469.00 | NIST | |
| Inp | 3469.00 | NIST | |
| Tboil | 660.74 | K | Relay (1.0) Calculated Property |
| Tfus | 340.74 | 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 | [560.09; 1259.69] | 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 | 4.34900e+01 | |||
| Coefficient B | 2.20780e+00 | |||
| Coefficient C | -1.21720e-03 | |||
| Coefficient D | 2.25600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 560.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 682.21 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 791.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 888.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 974.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1050.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1115.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1171.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1219.68 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1259.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004348; 0.0000260] | Pa×s | [499.66; 810.63] |
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 | -1.50829e+01 | |||
| Coefficient B | 3.66860e+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. | 499.66 | |||
| Temperature range, max. | 810.63 | |||
| η | 0.0004348 | Pa×s | 499.66 | Calculated Property |
| η | 0.0002704 | Pa×s | 534.21 | Calculated Property |
| η | 0.0001782 | Pa×s | 568.76 | Calculated Property |
| η | 0.0001231 | Pa×s | 603.32 | Calculated Property |
| η | 0.0000886 | Pa×s | 637.87 | Calculated Property |
| η | 0.0000659 | Pa×s | 672.42 | Calculated Property |
| η | 0.0000505 | Pa×s | 706.97 | Calculated Property |
| η | 0.0000396 | Pa×s | 741.53 | Calculated Property |
| η | 0.0000318 | Pa×s | 776.08 | Calculated Property |
| η | 0.0000260 | Pa×s | 810.63 | Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, di(10-chlorodecyl) 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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