- InChI
- InChI=1S/C21H30Cl2O4/c1-15(2)7-4-8-16(3)13-14-26-19(24)11-6-12-20(25)27-18-10-5-9-17(22)21(18)23/h5,9-10,15-16H,4,6-8,11-14H2,1-3H3
- InChI Key
- LUESKPZWMBPICL-UHFFFAOYSA-N
- Formula
- C21H30Cl2O4
- SMILES
-
CC(C)CCCC(C)CCOC(=O)CCCC(=O)Oc
1cccc(Cl)c1Cl - Molecular Weight1
- 417.37
- 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 | -940.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.85 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.465 | Crippen Calculated Property | |
| McVol | 322.350 | ml/mol | McGowan Calculated Property |
| Inp | [2860.00; 2860.00] |
|
|
| Inp | 2860.00 | NIST | |
| Inp | 2860.00 | NIST | |
| Tboil | 661.97 | 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 | [457.67; 1011.97] | 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 | 5.17280e+01 | |||
| Coefficient B | 1.71676e+00 | |||
| Coefficient C | -8.73720e-04 | |||
| Coefficient D | 1.17200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 457.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 554.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 642.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 720.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 789.46 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 849.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 901.87 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 946.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 982.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1011.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005343; 0.0000408] | Pa×s | [492.39; 782.31] |
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 | -1.44730e+01 | |||
| Coefficient B | 3.41642e+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. | 492.39 | |||
| Temperature range, max. | 782.31 | |||
| η | 0.0005343 | Pa×s | 492.39 | Calculated Property |
| η | 0.0003489 | Pa×s | 524.60 | Calculated Property |
| η | 0.0002394 | Pa×s | 556.82 | Calculated Property |
| η | 0.0001712 | Pa×s | 589.03 | Calculated Property |
| η | 0.0001267 | Pa×s | 621.24 | Calculated Property |
| η | 0.0000966 | Pa×s | 653.46 | Calculated Property |
| η | 0.0000756 | Pa×s | 685.67 | Calculated Property |
| η | 0.0000604 | Pa×s | 717.88 | Calculated Property |
| η | 0.0000493 | Pa×s | 750.10 | Calculated Property |
| η | 0.0000408 | Pa×s | 782.31 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,3-dichlorophenyl 3,7-dimethyloctyl 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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