- 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1073.38; 1172.21] | J/mol×K | [850.60; 1065.17] |
|
| Cp,gas | 1073.38 | J/mol×K | 850.60 | Joback Calculated Property |
| Cp,gas | 1094.35 | J/mol×K | 886.36 | Joback Calculated Property |
| Cp,gas | 1113.45 | J/mol×K | 922.12 | Joback Calculated Property |
| Cp,gas | 1130.73 | J/mol×K | 957.89 | Joback Calculated Property |
| Cp,gas | 1146.25 | J/mol×K | 993.65 | Joback Calculated Property |
| Cp,gas | 1160.06 | J/mol×K | 1029.41 | Joback Calculated Property |
| Cp,gas | 1172.21 | J/mol×K | 1065.17 | Joback Calculated Property |
| η | [0.0000335; 0.0015219] | Pa×s | [435.30; 850.60] |
|
| η | 0.0015219 | Pa×s | 435.30 | Joback Calculated Property |
| η | 0.0005208 | Pa×s | 504.52 | Joback Calculated Property |
| η | 0.0002308 | Pa×s | 573.73 | Joback Calculated Property |
| η | 0.0001219 | Pa×s | 642.95 | Joback Calculated Property |
| η | 0.0000729 | Pa×s | 712.17 | Joback Calculated Property |
| η | 0.0000477 | Pa×s | 781.38 | Joback Calculated Property |
| η | 0.0000335 | Pa×s | 850.60 | Joback 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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