- InChI
- InChI=1S/C19H36O4/c1-7-11-13-15(5)22-17(20)19(9-3,10-4)18(21)23-16(6)14-12-8-2/h15-16H,7-14H2,1-6H3
- InChI Key
- JEGGTWLTNBWTPS-UHFFFAOYSA-N
- Formula
- C19H36O4
- SMILES
-
CCCCC(C)OC(=O)C(CC)(CC)C(=O)OC
(C)CCCC - Molecular Weight1
- 328.49
- 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).
- IE : Ionization energy (eV).
- 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 | -1079.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.037 | Crippen Calculated Property | |
| McVol | 293.450 | ml/mol | McGowan Calculated Property |
| Inp | [1798.00; 1798.00] |
|
|
| Inp | 1798.00 | NIST | |
| Inp | 1798.00 | NIST | |
| Tboil | 561.48 | 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, 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 | [439.13; 1018.32] | 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 | 8.59800e+00 | |||
| Coefficient B | 1.83692e+00 | |||
| Coefficient C | -9.98800e-04 | |||
| Coefficient D | 1.71600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 439.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 541.05 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 632.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 713.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 785.03 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 847.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 901.64 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 947.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 986.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1018.32 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0033026; 0.0000647] | Pa×s | [360.97; 649.68] |
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 | -1.45645e+01 | |||
| Coefficient B | 3.19510e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 360.97 | |||
| Temperature range, max. | 649.68 | |||
| η | 0.0033026 | Pa×s | 360.97 | Calculated Property |
| η | 0.0016037 | Pa×s | 393.05 | Calculated Property |
| η | 0.0008684 | Pa×s | 425.13 | Calculated Property |
| η | 0.0005125 | Pa×s | 457.21 | Calculated Property |
| η | 0.0003241 | Pa×s | 489.28 | Calculated Property |
| η | 0.0002169 | Pa×s | 521.36 | Calculated Property |
| η | 0.0001520 | Pa×s | 553.44 | Calculated Property |
| η | 0.0001108 | Pa×s | 585.52 | Calculated Property |
| η | 0.0000835 | Pa×s | 617.60 | Calculated Property |
| η | 0.0000647 | Pa×s | 649.68 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, di(2-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
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