- InChI
- InChI=1S/C15H16Cl4O4/c1-8(2)7-22-11(20)4-3-5-12(21)23-15-13(18)9(16)6-10(17)14(15)19/h6,8H,3-5,7H2,1-2H3
- InChI Key
- DCZJKKXXRFMGME-UHFFFAOYSA-N
- Formula
- C15H16Cl4O4
- SMILES
-
CC(C)COC(=O)CCCC(=O)Oc1c(Cl)c(
Cl)cc(Cl)c1Cl - Molecular Weight1
- 402.10
- 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 | -815.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.16 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.575 | Crippen Calculated Property | |
| McVol | 262.290 | ml/mol | McGowan Calculated Property |
| Pc | 1578.46 | kPa | Joback Calculated Property |
| Inp | [2587.00; 2587.00] |
|
|
| Inp | 2587.00 | NIST | |
| Inp | 2587.00 | NIST | |
| Tboil | 631.18 | K | Relay (1.0) Calculated Property |
| Tc | 884.58 | 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 | [362.61; 712.34] | 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 | 1.13244e+02 | |||
| Coefficient B | 1.03544e+00 | |||
| Coefficient C | -4.50840e-04 | |||
| Coefficient D | 1.45000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 362.61 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 423.78 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 479.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 529.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 573.35 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 612.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 645.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 673.01 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 695.36 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 712.34 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004257; 0.0000733] | Pa×s | [524.65; 752.03] |
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 | -1.35823e+01 | |||
| Coefficient B | 3.05376e+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. | 524.65 | |||
| Temperature range, max. | 752.03 | |||
| η | 0.0004257 | Pa×s | 524.65 | Calculated Property |
| η | 0.0003258 | Pa×s | 549.91 | Calculated Property |
| η | 0.0002553 | Pa×s | 575.18 | Calculated Property |
| η | 0.0002042 | Pa×s | 600.44 | Calculated Property |
| η | 0.0001663 | Pa×s | 625.71 | Calculated Property |
| η | 0.0001376 | Pa×s | 650.97 | Calculated Property |
| η | 0.0001155 | Pa×s | 676.24 | Calculated Property |
| η | 0.0000981 | Pa×s | 701.50 | Calculated Property |
| η | 0.0000844 | Pa×s | 726.77 | Calculated Property |
| η | 0.0000733 | Pa×s | 752.03 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl 2,3,5,6-tetrachlorophenyl ester.
Sources
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