- InChI
- InChI=1S/C20H28Cl2O4/c1-3-4-5-6-7-8-9-15(2)25-19(23)10-11-20(24)26-18-13-16(21)12-17(22)14-18/h12-15H,3-11H2,1-2H3
- InChI Key
- XHMFVOPEJDMACN-UHFFFAOYSA-N
- Formula
- C20H28Cl2O4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCC(=O)Oc1cc
(Cl)cc(Cl)c1 - Molecular Weight1
- 403.34
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -911.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.94 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.361 | Crippen Calculated Property | |
| McVol | 308.260 | ml/mol | McGowan Calculated Property |
| Inp | [2717.00; 2717.00] |
|
|
| Inp | 2717.00 | NIST | |
| Inp | 2717.00 | NIST | |
| Tboil | 637.04 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [436.77; 959.84] | 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 | 5.43190e+01 | |||
| Coefficient B | 1.61584e+00 | |||
| Coefficient C | -8.16120e-04 | |||
| Coefficient D | 1.05800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 436.77 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 528.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 611.06 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 684.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 749.94 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 806.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 856.10 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 897.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 932.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 959.84 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005240; 0.0000512] | Pa×s | [496.12; 764.65] |
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 | -1.41742e+01 | |||
| Coefficient B | 3.28444e+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. | 496.12 | |||
| Temperature range, max. | 764.65 | |||
| η | 0.0005240 | Pa×s | 496.12 | Calculated Property |
| η | 0.0003600 | Pa×s | 525.96 | Calculated Property |
| η | 0.0002574 | Pa×s | 555.79 | Calculated Property |
| η | 0.0001905 | Pa×s | 585.63 | Calculated Property |
| η | 0.0001452 | Pa×s | 615.47 | Calculated Property |
| η | 0.0001134 | Pa×s | 645.30 | Calculated Property |
| η | 0.0000906 | Pa×s | 675.14 | Calculated Property |
| η | 0.0000737 | Pa×s | 704.98 | Calculated Property |
| η | 0.0000610 | Pa×s | 734.81 | Calculated Property |
| η | 0.0000512 | Pa×s | 764.65 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dec-2-yl 3,5-dichlorophenyl 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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