- InChI
- InChI=1S/C19H34O4/c1-3-4-6-10-16(2)23-19(21)14-9-13-18(20)22-15-17-11-7-5-8-12-17/h16-17H,3-15H2,1-2H3
- InChI Key
- ADXZONHWOKTOJX-UHFFFAOYSA-N
- Formula
- C19H34O4
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)OCC1CCC
CC1 - Molecular Weight1
- 326.47
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1036.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.88 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.792 | Crippen Calculated Property | |
| McVol | 282.590 | ml/mol | McGowan Calculated Property |
| Inp | 2219.00 | NIST | |
| Tboil | 632.00 | K | Relay (1.0) Calculated Property |
| Tc | 812.68 | K | Relay (1.0) Calculated Property |
| Tfus | 256.97 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [889.71; 987.33] | J/mol×K | [769.87; 961.92] | 
|
| Cp,gas | 889.71 | J/mol×K | 769.87 | Joback Calculated Property |
| Cp,gas | 909.19 | J/mol×K | 801.88 | Joback Calculated Property |
| Cp,gas | 927.36 | J/mol×K | 833.89 | Joback Calculated Property |
| Cp,gas | 944.24 | J/mol×K | 865.90 | Joback Calculated Property |
| Cp,gas | 959.84 | J/mol×K | 897.90 | Joback Calculated Property |
| Cp,gas | 974.20 | J/mol×K | 929.91 | Joback Calculated Property |
| Cp,gas | 987.33 | J/mol×K | 961.92 | Joback Calculated Property |
| η | [0.0000464; 0.0026202] | Pa×s | [380.93; 769.87] |
|
| η | 0.0026202 | Pa×s | 380.93 | Joback Calculated Property |
| η | 0.0008206 | Pa×s | 445.75 | Joback Calculated Property |
| η | 0.0003451 | Pa×s | 510.58 | Joback Calculated Property |
| η | 0.0001764 | Pa×s | 575.40 | Joback Calculated Property |
| η | 0.0001033 | Pa×s | 640.22 | Joback Calculated Property |
| η | 0.0000668 | Pa×s | 705.05 | Joback Calculated Property |
| η | 0.0000464 | Pa×s | 769.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclohexylmethyl 2-heptyl 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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