- InChI
- InChI=1S/C18H34O4/c1-8-15(12(2)3)21-16(19)10-9-11-17(20)22-18(13(4)5)14(6)7/h12-15,18H,8-11H2,1-7H3
- InChI Key
- IYTSMQCIDJTVKH-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
-
CCC(OC(=O)CCCC(=O)OC(C(C)C)C(C
)C)C(C)C - Molecular Weight1
- 314.47
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1075.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.94 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.358 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Inp | [1860.00; 1860.00] |
|
|
| Inp | 1860.00 | NIST | |
| Inp | 1860.00 | NIST | |
| Tboil | 582.24 | 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 | [418.43; 966.87] | 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 | 2.89340e+01 | |||
| Coefficient B | 1.63384e+00 | |||
| Coefficient C | -7.82200e-04 | |||
| Coefficient D | 8.63000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 418.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 512.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 598.30 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 674.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 743.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 803.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 855.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 899.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 936.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 966.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0118074; 0.0000681] | Pa×s | [302.28; 635.04] |
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 | -1.42771e+01 | |||
| Coefficient B | 2.97386e+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. | 302.28 | |||
| Temperature range, max. | 635.04 | |||
| η | 0.0118074 | Pa×s | 302.28 | Calculated Property |
| η | 0.0040411 | Pa×s | 339.25 | Calculated Property |
| η | 0.0017075 | Pa×s | 376.23 | Calculated Property |
| η | 0.0008418 | Pa×s | 413.20 | Calculated Property |
| η | 0.0004661 | Pa×s | 450.18 | Calculated Property |
| η | 0.0002823 | Pa×s | 487.15 | Calculated Property |
| η | 0.0001835 | Pa×s | 524.12 | Calculated Property |
| η | 0.0001263 | Pa×s | 561.10 | Calculated Property |
| η | 0.0000910 | Pa×s | 598.07 | Calculated Property |
| η | 0.0000681 | Pa×s | 635.04 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-methylpent-3-yl 2,4-dimethylpent-3-yl 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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