- 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.
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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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [361.40; 864.36] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.68300e+00 | |||
| Coefficient B | 1.54884e+00 | |||
| Coefficient C | -7.74100e-04 | |||
| Coefficient D | 9.53000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 361.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 449.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 529.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 599.95 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 662.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 717.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 764.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 804.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 837.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 864.36 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0029672; 0.0001454] | Pa×s | [377.21; 639.79] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.31689e+01 | |||
| Coefficient B | 2.77203e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 377.21 | |||
| Temperature range, max. | 639.79 | |||
| η | 0.0029672 | Pa×s | 377.21 | Calculated Property |
| η | 0.0017507 | Pa×s | 406.39 | Calculated Property |
| η | 0.0011086 | Pa×s | 435.56 | Calculated Property |
| η | 0.0007435 | Pa×s | 464.74 | Calculated Property |
| η | 0.0005227 | Pa×s | 493.91 | Calculated Property |
| η | 0.0003822 | Pa×s | 523.09 | Calculated Property |
| η | 0.0002889 | Pa×s | 552.27 | Calculated Property |
| η | 0.0002246 | Pa×s | 581.44 | Calculated Property |
| η | 0.0001788 | Pa×s | 610.62 | Calculated Property |
| η | 0.0001454 | Pa×s | 639.79 | 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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