- InChI
- InChI=1S/C22H38O4/c1-22(2,3)18-12-14-19(15-13-18)26-21(24)11-7-10-20(23)25-16-17-8-5-4-6-9-17/h17-19H,4-16H2,1-3H3
- InChI Key
- DEMOISFIAXGSHO-UHFFFAOYSA-N
- Formula
- C22H38O4
- SMILES
-
CC(C)(C)C1CCC(OC(=O)CCCC(=O)OC
C2CCCCC2)CC1 - Molecular Weight1
- 366.54
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1058.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.69 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.428 | Crippen Calculated Property | |
| McVol | 314.000 | ml/mol | McGowan Calculated Property |
| Inp | [2707.00; 2707.00] |
|
|
| Inp | 2707.00 | NIST | |
| Inp | 2707.00 | NIST | |
| Tfus | 334.72 | 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 | [429.43; 1148.82] | 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 | -1.16036e+02 | |||
| Coefficient B | 2.32776e+00 | |||
| Coefficient C | -1.26220e-03 | |||
| Coefficient D | 1.99300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 429.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 558.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 673.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 775.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 865.26 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 943.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1009.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1065.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1111.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1148.82 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015219; 0.0000588] | Pa×s | [435.30; 745.62] |
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 | -1.43049e+01 | |||
| Coefficient B | 3.40279e+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. | 435.30 | |||
| Temperature range, max. | 745.62 | |||
| η | 0.0015219 | Pa×s | 435.30 | Calculated Property |
| η | 0.0008575 | Pa×s | 469.78 | Calculated Property |
| η | 0.0005225 | Pa×s | 504.26 | Calculated Property |
| η | 0.0003393 | Pa×s | 538.74 | Calculated Property |
| η | 0.0002320 | Pa×s | 573.22 | Calculated Property |
| η | 0.0001657 | Pa×s | 607.70 | Calculated Property |
| η | 0.0001227 | Pa×s | 642.18 | Calculated Property |
| η | 0.0000936 | Pa×s | 676.66 | Calculated Property |
| η | 0.0000734 | Pa×s | 711.14 | Calculated Property |
| η | 0.0000588 | Pa×s | 745.62 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclohexylmethyl trans-4-tert-butylcyclohexyl 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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