- InChI
- InChI=1S/C15H26O4/c1-5-7-11-18-14(16)9-8-10-15(17)19-13(6-2)12(3)4/h5,12-13H,1,6-11H2,2-4H3
- InChI Key
- NPAXMPOJQBPKGM-UHFFFAOYSA-N
- Formula
- C15H26O4
- SMILES
- C=CCCOC(=O)CCCC(=O)OC(CC)C(C)C
- Molecular Weight1
- 270.36
- 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 | -887.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.58 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.254 | Crippen Calculated Property | |
| McVol | 232.790 | ml/mol | McGowan Calculated Property |
| Inp | [1702.00; 1702.00] |
|
|
| Inp | 1702.00 | NIST | |
| Inp | 1702.00 | NIST | |
| Tboil | 575.86 | 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 | [345.92; 781.98] | 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 | 3.37160e+01 | |||
| Coefficient B | 1.31106e+00 | |||
| Coefficient C | -6.32300e-04 | |||
| Coefficient D | 6.95000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 345.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 421.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 489.75 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 550.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 605.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 653.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 694.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 729.43 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 758.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 781.98 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0053482; 0.0001257] | Pa×s | [311.71; 582.87] |
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 | -1.32922e+01 | |||
| Coefficient B | 2.51276e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 311.71 | |||
| Temperature range, max. | 582.87 | |||
| η | 0.0053482 | Pa×s | 311.71 | Calculated Property |
| η | 0.0026281 | Pa×s | 341.84 | Calculated Property |
| η | 0.0014490 | Pa×s | 371.97 | Calculated Property |
| η | 0.0008734 | Pa×s | 402.10 | Calculated Property |
| η | 0.0005650 | Pa×s | 432.23 | Calculated Property |
| η | 0.0003868 | Pa×s | 462.36 | Calculated Property |
| η | 0.0002774 | Pa×s | 492.49 | Calculated Property |
| η | 0.0002067 | Pa×s | 522.61 | Calculated Property |
| η | 0.0001591 | Pa×s | 552.74 | Calculated Property |
| η | 0.0001257 | Pa×s | 582.87 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-methylpent-3-yl but-3-en-1-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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