- InChI
- InChI=1S/C17H20Cl4O4/c1-10(2)5-4-8-24-13(22)6-3-7-14(23)25-17-15(20)11(18)9-12(19)16(17)21/h9-10H,3-8H2,1-2H3
- InChI Key
- NUJUXSBEAAGYLG-UHFFFAOYSA-N
- Formula
- C17H20Cl4O4
- SMILES
-
CC(C)CCCOC(=O)CCCC(=O)Oc1c(Cl)
c(Cl)cc(Cl)c1Cl - Molecular Weight1
- 430.15
- 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 | -861.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.20 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.355 | Crippen Calculated Property | |
| McVol | 290.470 | ml/mol | McGowan Calculated Property |
| Inp | [2799.00; 2799.00] |
|
|
| Inp | 2799.00 | NIST | |
| Inp | 2799.00 | NIST | |
| Tboil | 645.06 | 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 | [405.04; 815.53] | 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 | 1.11426e+02 | |||
| Coefficient B | 1.22544e+00 | |||
| Coefficient C | -5.59640e-04 | |||
| Coefficient D | 3.83000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 405.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 476.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 541.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 599.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 651.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 696.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 735.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 768.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 794.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 815.53 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003395; 0.0000570] | Pa×s | [547.19; 782.94] |
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 | -1.39129e+01 | |||
| Coefficient B | 3.24208e+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. | 547.19 | |||
| Temperature range, max. | 782.94 | |||
| η | 0.0003395 | Pa×s | 547.19 | Calculated Property |
| η | 0.0002590 | Pa×s | 573.38 | Calculated Property |
| η | 0.0002023 | Pa×s | 599.58 | Calculated Property |
| η | 0.0001613 | Pa×s | 625.77 | Calculated Property |
| η | 0.0001310 | Pa×s | 651.97 | Calculated Property |
| η | 0.0001081 | Pa×s | 678.16 | Calculated Property |
| η | 0.0000905 | Pa×s | 704.36 | Calculated Property |
| η | 0.0000767 | Pa×s | 730.55 | Calculated Property |
| η | 0.0000658 | Pa×s | 756.75 | Calculated Property |
| η | 0.0000570 | Pa×s | 782.94 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isohexyl 2,3,5,6-tetrachlorophenyl 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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