- InChI
- InChI=1S/C16H28O5/c1-13(2)6-4-11-20-15(17)8-3-9-16(18)21-12-14-7-5-10-19-14/h13-14H,3-12H2,1-2H3
- InChI Key
- FHIUYEAYXMPKGS-UHFFFAOYSA-N
- Formula
- C16H28O5
- SMILES
-
CC(C)CCCOC(=O)CCCC(=O)OCC1CCCO
1 - Molecular Weight1
- 300.39
- 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 | -1073.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.89 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.858 | Crippen Calculated Property | |
| McVol | 246.190 | ml/mol | McGowan Calculated Property |
| Inp | [2177.00; 2177.00] |
|
|
| Inp | 2177.00 | NIST | |
| Inp | 2177.00 | NIST | |
| Tboil | 621.41 | 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 | [746.03; 836.04] | J/mol×K | [723.91; 913.99] |
|
| Cp,gas | 746.03 | J/mol×K | 723.91 | Joback Calculated Property |
| Cp,gas | 763.77 | J/mol×K | 755.59 | Joback Calculated Property |
| Cp,gas | 780.39 | J/mol×K | 787.27 | Joback Calculated Property |
| Cp,gas | 795.91 | J/mol×K | 818.95 | Joback Calculated Property |
| Cp,gas | 810.35 | J/mol×K | 850.63 | Joback Calculated Property |
| Cp,gas | 823.72 | J/mol×K | 882.31 | Joback Calculated Property |
| Cp,gas | 836.04 | J/mol×K | 913.99 | Joback Calculated Property |
| η | [0.0000879; 0.0029672] | Pa×s | [377.21; 723.91] |
|
| η | 0.0029672 | Pa×s | 377.21 | Joback Calculated Property |
| η | 0.0011179 | Pa×s | 434.99 | Joback Calculated Property |
| η | 0.0005295 | Pa×s | 492.78 | Joback Calculated Property |
| η | 0.0002934 | Pa×s | 550.56 | Joback Calculated Property |
| η | 0.0001819 | Pa×s | 608.34 | Joback Calculated Property |
| η | 0.0001225 | Pa×s | 666.13 | Joback Calculated Property |
| η | 0.0000879 | Pa×s | 723.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isohexyl tetrahydrofurfuryl 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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