- InChI
- InChI=1S/C24H30Cl2O4/c1-17(2)16-29-22(27)13-7-5-3-4-6-8-14-23(28)30-24-19-12-10-9-11-18(19)20(25)15-21(24)26/h9-12,15,17H,3-8,13-14,16H2,1-2H3
- InChI Key
- SFPLINZZNPRKDT-UHFFFAOYSA-N
- Formula
- C24H30Cl2O4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)Oc1c(
Cl)cc(Cl)c2ccccc12 - Molecular Weight1
- 453.40
- 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 | -826.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.54 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 7.372 | Crippen Calculated Property | |
| McVol | 345.160 | ml/mol | McGowan Calculated Property |
| Pc | 1077.10 | kPa | Joback Calculated Property |
| Inp | [3429.00; 3429.00] |
|
|
| Inp | 3429.00 | NIST | |
| Inp | 3429.00 | NIST | |
| Tboil | 701.35 | K | Relay (1.0) Calculated Property |
| Tc | 967.21 | 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 | [483.18; 1072.38] | 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 | 3.35390e+01 | |||
| Coefficient B | 1.93264e+00 | |||
| Coefficient C | -1.10340e-03 | |||
| Coefficient D | 2.09600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 483.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 588.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 682.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 765.15 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 837.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 901.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 955.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1001.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1040.52 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1072.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003392; 0.0000566] | Pa×s | [586.42; 858.68] |
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 | -1.36372e+01 | |||
| Coefficient B | 3.31226e+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. | 586.42 | |||
| Temperature range, max. | 858.68 | |||
| η | 0.0003392 | Pa×s | 586.42 | Calculated Property |
| η | 0.0002571 | Pa×s | 616.67 | Calculated Property |
| η | 0.0002000 | Pa×s | 646.92 | Calculated Property |
| η | 0.0001591 | Pa×s | 677.17 | Calculated Property |
| η | 0.0001291 | Pa×s | 707.42 | Calculated Property |
| η | 0.0001065 | Pa×s | 737.67 | Calculated Property |
| η | 0.0000893 | Pa×s | 767.92 | Calculated Property |
| η | 0.0000758 | Pa×s | 798.18 | Calculated Property |
| η | 0.0000651 | Pa×s | 828.43 | Calculated Property |
| η | 0.0000566 | Pa×s | 858.68 | Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2,4-dichloronaphth-1-yl isobutyl ester.
Sources
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