- InChI
- InChI=1S/C16H26O4/c1-5-9-13(3)19-15(17)11-7-8-12-16(18)20-14(4)10-6-2/h5-6,13-14H,1-2,7-12H2,3-4H3
- InChI Key
- DVDZMSVFHVJCEH-UHFFFAOYSA-N
- Formula
- C16H26O4
- SMILES
-
C=CCC(C)OC(=O)CCCCC(=O)OC(C)CC
=C - Molecular Weight1
- 282.38
- 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 | -853.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.11 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.562 | Crippen Calculated Property | |
| McVol | 242.580 | ml/mol | McGowan Calculated Property |
| Inp | [1791.00; 1791.00] |
|
|
| Inp | 1791.00 | NIST | |
| Inp | 1791.00 | NIST | |
| Tboil | 559.08 | 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 | [357.33; 805.06] | 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 | 2.98160e+01 | |||
| Coefficient B | 1.38604e+00 | |||
| Coefficient C | -7.09600e-04 | |||
| Coefficient D | 9.88000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 357.33 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 435.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 506.24 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 569.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 624.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 673.53 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 715.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 751.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 781.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 805.06 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0045260; 0.0001164] | Pa×s | [321.22; 597.69] |
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 | -1.33107e+01 | |||
| Coefficient B | 2.54176e+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. | 321.22 | |||
| Temperature range, max. | 597.69 | |||
| η | 0.0045260 | Pa×s | 321.22 | Calculated Property |
| η | 0.0022686 | Pa×s | 351.94 | Calculated Property |
| η | 0.0012705 | Pa×s | 382.66 | Calculated Property |
| η | 0.0007755 | Pa×s | 413.38 | Calculated Property |
| η | 0.0005068 | Pa×s | 444.10 | Calculated Property |
| η | 0.0003500 | Pa×s | 474.81 | Calculated Property |
| η | 0.0002528 | Pa×s | 505.53 | Calculated Property |
| η | 0.0001895 | Pa×s | 536.25 | Calculated Property |
| η | 0.0001466 | Pa×s | 566.97 | Calculated Property |
| η | 0.0001164 | Pa×s | 597.69 | Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, di(pent-4-en-2-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
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