- InChI
- InChI=1S/C22H40O4/c1-18(2)9-7-10-19(3)15-16-25-21(23)13-8-14-22(24)26-17-20-11-5-4-6-12-20/h18-20H,4-17H2,1-3H3
- InChI Key
- PYFZESWVFVUFFK-UHFFFAOYSA-N
- Formula
- C22H40O4
- SMILES
-
CC(C)CCCC(C)CCOC(=O)CCCC(=O)OC
C1CCCCC1 - Molecular Weight1
- 368.55
- 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).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1112.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.16 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.676 | Crippen Calculated Property | |
| McVol | 324.860 | ml/mol | McGowan Calculated Property |
| Inp | [2561.00; 2561.00] |
|
|
| Inp | 2561.00 | NIST | |
| Inp | 2561.00 | NIST | |
| Tboil | 665.16 | K | Relay (1.0) Calculated Property |
| Tc | 835.59 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [1090.46; 1185.25] | J/mol×K | [874.01; 1075.68] |
|
| Cp,gas | 1090.46 | J/mol×K | 874.01 | Joback Calculated Property |
| Cp,gas | 1109.79 | J/mol×K | 907.62 | Joback Calculated Property |
| Cp,gas | 1127.66 | J/mol×K | 941.23 | Joback Calculated Property |
| Cp,gas | 1144.12 | J/mol×K | 974.85 | Joback Calculated Property |
| Cp,gas | 1159.18 | J/mol×K | 1008.46 | Joback Calculated Property |
| Cp,gas | 1172.88 | J/mol×K | 1042.07 | Joback Calculated Property |
| Cp,gas | 1185.25 | J/mol×K | 1075.68 | Joback Calculated Property |
| η | [0.0000343; 0.0010552] | Pa×s | [459.40; 874.01] |
|
| η | 0.0010552 | Pa×s | 459.40 | Joback Calculated Property |
| η | 0.0004104 | Pa×s | 528.50 | Joback Calculated Property |
| η | 0.0001985 | Pa×s | 597.60 | Joback Calculated Property |
| η | 0.0001117 | Pa×s | 666.70 | Joback Calculated Property |
| η | 0.0000700 | Pa×s | 735.81 | Joback Calculated Property |
| η | 0.0000475 | Pa×s | 804.91 | Joback Calculated Property |
| η | 0.0000343 | Pa×s | 874.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclohexylmethyl 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
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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