- InChI
- InChI=1S/C20H26Cl4O4/c1-13(2)12-27-16(25)9-7-5-3-4-6-8-10-17(26)28-20-18(23)14(21)11-15(22)19(20)24/h11,13H,3-10,12H2,1-2H3
- InChI Key
- VTZNJJZJUFHXDE-UHFFFAOYSA-N
- Formula
- C20H26Cl4O4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)Oc1c(
Cl)c(Cl)cc(Cl)c1Cl - Molecular Weight1
- 472.23
- 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -922.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.70 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 7.526 | Crippen Calculated Property | |
| McVol | 332.740 | ml/mol | McGowan Calculated Property |
| Pc | 1113.34 | kPa | Joback Calculated Property |
| Inp | [3111.00; 3111.00] |
|
|
| Inp | 3111.00 | NIST | |
| Inp | 3111.00 | NIST | |
| Tboil | 661.76 | K | Relay (1.0) Calculated Property |
| Tc | 919.88 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [468.68; 970.30] | 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 | 1.08699e+02 | |||
| Coefficient B | 1.51044e+00 | |||
| Coefficient C | -7.22840e-04 | |||
| Coefficient D | 7.40000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 468.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 555.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 634.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 705.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 767.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 822.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 870.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 910.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 943.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 970.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002364; 0.0000376] | Pa×s | [581.00; 833.42] |
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 | -1.44165e+01 | |||
| Coefficient B | 3.52456e+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. | 581.00 | |||
| Temperature range, max. | 833.42 | |||
| η | 0.0002364 | Pa×s | 581.00 | Calculated Property |
| η | 0.0001788 | Pa×s | 609.05 | Calculated Property |
| η | 0.0001386 | Pa×s | 637.09 | Calculated Property |
| η | 0.0001097 | Pa×s | 665.14 | Calculated Property |
| η | 0.0000886 | Pa×s | 693.18 | Calculated Property |
| η | 0.0000727 | Pa×s | 721.23 | Calculated Property |
| η | 0.0000605 | Pa×s | 749.28 | Calculated Property |
| η | 0.0000511 | Pa×s | 777.32 | Calculated Property |
| η | 0.0000436 | Pa×s | 805.37 | Calculated Property |
| η | 0.0000376 | Pa×s | 833.42 | Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isobutyl 2,3,5,6-tetrachlorophenyl ester.
Sources
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