- InChI
- InChI=1S/C20H27Cl3O4/c1-3-4-5-6-7-8-9-14(2)26-19(24)10-11-20(25)27-18-13-16(22)15(21)12-17(18)23/h12-14H,3-11H2,1-2H3
- InChI Key
- ZYIQZXZINPBLML-UHFFFAOYSA-N
- Formula
- C20H27Cl3O4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCC(=O)Oc1cc
(Cl)c(Cl)cc1Cl - Molecular Weight1
- 437.79
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -928.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.30 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 7.015 | Crippen Calculated Property | |
| McVol | 320.500 | ml/mol | McGowan Calculated Property |
| Inp | [2779.00; 2779.00] |
|
|
| Inp | 2779.00 | NIST | |
| Inp | 2779.00 | NIST | |
| Tboil | 636.74 | 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 | [452.73; 965.07] | 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 | 8.15090e+01 | |||
| Coefficient B | 1.56314e+00 | |||
| Coefficient C | -7.69480e-04 | |||
| Coefficient D | 8.99000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 452.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 542.19 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 622.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 695.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 758.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 814.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 863.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 904.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 938.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 965.07 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003454; 0.0000440] | Pa×s | [538.56; 798.85] |
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 | -1.42923e+01 | |||
| Coefficient B | 3.40450e+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. | 538.56 | |||
| Temperature range, max. | 798.85 | |||
| η | 0.0003454 | Pa×s | 538.56 | Calculated Property |
| η | 0.0002503 | Pa×s | 567.48 | Calculated Property |
| η | 0.0001871 | Pa×s | 596.40 | Calculated Property |
| η | 0.0001437 | Pa×s | 625.32 | Calculated Property |
| η | 0.0001130 | Pa×s | 654.25 | Calculated Property |
| η | 0.0000906 | Pa×s | 683.17 | Calculated Property |
| η | 0.0000740 | Pa×s | 712.09 | Calculated Property |
| η | 0.0000614 | Pa×s | 741.01 | Calculated Property |
| η | 0.0000517 | Pa×s | 769.93 | Calculated Property |
| η | 0.0000440 | Pa×s | 798.85 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dec-2-yl 2,4,5-trichlorophenyl 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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