- InChI
- InChI=1S/C18H32O4/c1-3-8-15(2)13-21-17(19)11-7-12-18(20)22-14-16-9-5-4-6-10-16/h15-16H,3-14H2,1-2H3
- InChI Key
- FVRUEVOKUBTYNP-UHFFFAOYSA-N
- Formula
- C18H32O4
- SMILES
-
CCCC(C)COC(=O)CCCC(=O)OCC1CCCC
C1 - Molecular Weight1
- 312.45
- 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 | -1016.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.33 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.260 | Crippen Calculated Property | |
| McVol | 268.500 | ml/mol | McGowan Calculated Property |
| Inp | [2187.00; 2187.00] |
|
|
| Inp | 2187.00 | NIST | |
| Inp | 2187.00 | NIST | |
| Tboil | 635.00 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [830.31; 928.05] | J/mol×K | [746.99; 939.45] |
|
| Cp,gas | 830.31 | J/mol×K | 746.99 | Joback Calculated Property |
| Cp,gas | 849.73 | J/mol×K | 779.07 | Joback Calculated Property |
| Cp,gas | 867.88 | J/mol×K | 811.14 | Joback Calculated Property |
| Cp,gas | 884.76 | J/mol×K | 843.22 | Joback Calculated Property |
| Cp,gas | 900.40 | J/mol×K | 875.29 | Joback Calculated Property |
| Cp,gas | 914.82 | J/mol×K | 907.37 | Joback Calculated Property |
| Cp,gas | 928.05 | J/mol×K | 939.45 | Joback Calculated Property |
| η | [0.0000539; 0.0030252] | Pa×s | [369.66; 746.99] |
|
| η | 0.0030252 | Pa×s | 369.66 | Joback Calculated Property |
| η | 0.0009493 | Pa×s | 432.55 | Joback Calculated Property |
| η | 0.0003998 | Pa×s | 495.44 | Joback Calculated Property |
| η | 0.0002046 | Pa×s | 558.33 | Joback Calculated Property |
| η | 0.0001199 | Pa×s | 621.21 | Joback Calculated Property |
| η | 0.0000775 | Pa×s | 684.10 | Joback Calculated Property |
| η | 0.0000539 | Pa×s | 746.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclohexylmethyl 2-methylpentyl 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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