- InChI
- InChI=1S/C15H28O4/c1-5-9-12(7-3)18-14(16)11-15(17)19-13(8-4)10-6-2/h12-13H,5-11H2,1-4H3
- InChI Key
- SGNABPSWMXRDCI-UHFFFAOYSA-N
- Formula
- C15H28O4
- SMILES
- CCCC(CC)OC(=O)CC(=O)OC(CC)CCC
- Molecular Weight1
- 272.38
- 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 | -1014.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.15 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.620 | Crippen Calculated Property | |
| McVol | 237.090 | ml/mol | McGowan Calculated Property |
| Inp | 1641.00 | NIST | |
| Tboil | 547.37 | 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 | [355.73; 810.49] | 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 | 3.67070e+01 | |||
| Coefficient B | 1.33108e+00 | |||
| Coefficient C | -6.09400e-04 | |||
| Coefficient D | 5.21000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 355.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 433.65 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 504.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 567.95 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 624.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 674.64 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 718.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 755.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 785.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 810.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0055278; 0.0001228] | Pa×s | [313.47; 583.62] |
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 | -1.34218e+01 | |||
| Coefficient B | 2.57792e+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. | 313.47 | |||
| Temperature range, max. | 583.62 | |||
| η | 0.0055278 | Pa×s | 313.47 | Calculated Property |
| η | 0.0026943 | Pa×s | 343.49 | Calculated Property |
| η | 0.0014740 | Pa×s | 373.50 | Calculated Property |
| η | 0.0008821 | Pa×s | 403.52 | Calculated Property |
| η | 0.0005668 | Pa×s | 433.54 | Calculated Property |
| η | 0.0003857 | Pa×s | 463.55 | Calculated Property |
| η | 0.0002750 | Pa×s | 493.57 | Calculated Property |
| η | 0.0002038 | Pa×s | 523.58 | Calculated Property |
| η | 0.0001561 | Pa×s | 553.60 | Calculated Property |
| η | 0.0001228 | Pa×s | 583.62 | Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, di(3-hexyl) 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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