- InChI
- InChI=1S/C21H36O4/c1-14-8-15(2)11-18(10-14)24-20(22)6-5-7-21(23)25-19-12-16(3)9-17(4)13-19/h14-19H,5-13H2,1-4H3
- InChI Key
- SSMLRCVHYKFROE-UHFFFAOYSA-N
- Formula
- C21H36O4
- SMILES
-
CC1CC(C)CC(OC(=O)CCCC(=O)OC2CC
(C)CC(C)C2)C1 - Molecular Weight1
- 352.51
- 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.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1131.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.32 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.893 | Crippen Calculated Property | |
| McVol | 299.910 | ml/mol | McGowan Calculated Property |
| Inp | [2378.00; 2378.00] |
|
|
| Inp | 2378.00 | NIST | |
| Inp | 2378.00 | NIST | |
| Tfus | 296.72 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, 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 | [416.47; 1115.74] | 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 | -7.28370e+01 | |||
| Coefficient B | 2.02748e+00 | |||
| Coefficient C | -8.69800e-04 | |||
| Coefficient D | 3.09000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 416.47 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 536.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 646.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 745.23 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 833.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 910.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 977.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1033.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1079.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1115.74 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017683; 0.0001534] | Pa×s | [408.89; 717.33] |
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 | -1.20239e+01 | |||
| Coefficient B | 2.32502e+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. | 408.89 | |||
| Temperature range, max. | 717.33 | |||
| η | 0.0017683 | Pa×s | 408.89 | Calculated Property |
| η | 0.0011392 | Pa×s | 443.16 | Calculated Property |
| η | 0.0007817 | Pa×s | 477.43 | Calculated Property |
| η | 0.0005641 | Pa×s | 511.70 | Calculated Property |
| η | 0.0004242 | Pa×s | 545.97 | Calculated Property |
| η | 0.0003298 | Pa×s | 580.24 | Calculated Property |
| η | 0.0002638 | Pa×s | 614.52 | Calculated Property |
| η | 0.0002160 | Pa×s | 648.79 | Calculated Property |
| η | 0.0001804 | Pa×s | 683.06 | Calculated Property |
| η | 0.0001534 | Pa×s | 717.33 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(3,5-dimethylcyclohexyl) 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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