- InChI
- InChI=1S/C15H26Cl2O4/c1-11(8-15(2,3)4)9-20-13(18)6-5-7-14(19)21-10-12(16)17/h11-12H,5-10H2,1-4H3
- InChI Key
- KDNOGOZBFVCVAO-UHFFFAOYSA-N
- Formula
- C15H26Cl2O4
- SMILES
-
CC(COC(=O)CCCC(=O)OCC(Cl)Cl)CC
(C)(C)C - Molecular Weight1
- 341.27
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1056.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.85 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.119 | Crippen Calculated Property | |
| McVol | 261.570 | ml/mol | McGowan Calculated Property |
| Inp | [2033.00; 2033.00] |
|
|
| Inp | 2033.00 | NIST | |
| Inp | 2033.00 | NIST | |
| Tboil | 600.96 | 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 | [381.08; 828.50] | 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 | 3.80160e+01 | |||
| Coefficient B | 1.47048e+00 | |||
| Coefficient C | -8.22000e-04 | |||
| Coefficient D | 1.42000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 381.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 461.65 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 533.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 596.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 652.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 700.78 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 742.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 776.77 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 805.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 828.50 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0027255; 0.0000814] | Pa×s | [375.73; 644.81] |
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 | -1.43183e+01 | |||
| Coefficient B | 3.16110e+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. | 375.73 | |||
| Temperature range, max. | 644.81 | |||
| η | 0.0027255 | Pa×s | 375.73 | Calculated Property |
| η | 0.0014660 | Pa×s | 405.63 | Calculated Property |
| η | 0.0008586 | Pa×s | 435.53 | Calculated Property |
| η | 0.0005387 | Pa×s | 465.42 | Calculated Property |
| η | 0.0003575 | Pa×s | 495.32 | Calculated Property |
| η | 0.0002486 | Pa×s | 525.22 | Calculated Property |
| η | 0.0001798 | Pa×s | 555.12 | Calculated Property |
| η | 0.0001344 | Pa×s | 585.01 | Calculated Property |
| η | 0.0001033 | Pa×s | 614.91 | Calculated Property |
| η | 0.0000814 | Pa×s | 644.81 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 2,4,4-trimethylpentyl 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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