- InChI
- InChI=1S/C14H14Cl4O4/c1-7(2)6-21-10(19)3-4-11(20)22-14-12(17)8(15)5-9(16)13(14)18/h5,7H,3-4,6H2,1-2H3
- InChI Key
- HNSFOJLAXWCAGH-UHFFFAOYSA-N
- Formula
- C14H14Cl4O4
- SMILES
-
CC(C)COC(=O)CCC(=O)Oc1c(Cl)c(C
l)cc(Cl)c1Cl - Molecular Weight1
- 388.07
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -786.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.185 | Crippen Calculated Property | |
| McVol | 248.200 | ml/mol | McGowan Calculated Property |
| Pc | 1706.12 | kPa | Joback Calculated Property |
| Inp | [2422.00; 2422.00] |
|
|
| Inp | 2422.00 | NIST | |
| Inp | 2422.00 | NIST | |
| Tboil | 617.92 | K | Relay (1.0) Calculated Property |
| Tc | 875.67 | K | Relay (1.0) Calculated Property |
| Tfus | 351.15 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [341.40; 660.75] | 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 | 1.14153e+02 | |||
| Coefficient B | 9.40440e-01 | |||
| Coefficient C | -3.96440e-04 | |||
| Coefficient D | 2.60000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 341.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 397.36 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 448.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 493.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 534.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 569.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 600.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 625.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 645.67 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 660.75 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004742; 0.0000823] | Pa×s | [513.38; 737.30] |
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 | -1.34188e+01 | |||
| Coefficient B | 2.95960e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 513.38 | |||
| Temperature range, max. | 737.30 | |||
| η | 0.0004742 | Pa×s | 513.38 | Calculated Property |
| η | 0.0003633 | Pa×s | 538.26 | Calculated Property |
| η | 0.0002849 | Pa×s | 563.14 | Calculated Property |
| η | 0.0002281 | Pa×s | 588.02 | Calculated Property |
| η | 0.0001860 | Pa×s | 612.90 | Calculated Property |
| η | 0.0001540 | Pa×s | 637.78 | Calculated Property |
| η | 0.0001294 | Pa×s | 662.66 | Calculated Property |
| η | 0.0001101 | Pa×s | 687.54 | Calculated Property |
| η | 0.0000947 | Pa×s | 712.42 | Calculated Property |
| η | 0.0000823 | Pa×s | 737.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, isobutyl 2,3,5,6-tetrachlorophenyl ester.
Sources
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