- InChI
- InChI=1S/C19H36O4/c1-6-7-8-9-10-11-12-16(4)22-18(20)13-14-19(21)23-17(5)15(2)3/h15-17H,6-14H2,1-5H3
- InChI Key
- LJTPHGXJAUXYQY-UHFFFAOYSA-N
- Formula
- C19H36O4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCC(=O)OC(C)
C(C)C - 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).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1088.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.037 | Crippen Calculated Property | |
| McVol | 293.450 | ml/mol | McGowan Calculated Property |
| Inp | [2059.00; 2059.00] |
|
|
| Inp | 2059.00 | NIST | |
| Inp | 2059.00 | NIST | |
| Tboil | 579.78 | K | Relay (1.0) Calculated Property |
| Tc | 760.22 | K | Relay (1.0) Calculated Property |
| Tfus | 260.55 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [440.27; 1017.39] | 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 | 3.13890e+01 | |||
| Coefficient B | 1.71700e+00 | |||
| Coefficient C | -8.30200e-04 | |||
| Coefficient D | 9.92000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 440.27 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 539.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 628.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 709.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 780.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 843.99 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 898.87 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 945.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 985.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1017.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0042778; 0.0000706] | Pa×s | [343.55; 649.67] |
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 | -1.41645e+01 | |||
| Coefficient B | 2.99238e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 343.55 | |||
| Temperature range, max. | 649.67 | |||
| η | 0.0042778 | Pa×s | 343.55 | Calculated Property |
| η | 0.0019518 | Pa×s | 377.56 | Calculated Property |
| η | 0.0010139 | Pa×s | 411.58 | Calculated Property |
| η | 0.0005820 | Pa×s | 445.59 | Calculated Property |
| η | 0.0003615 | Pa×s | 479.61 | Calculated Property |
| η | 0.0002392 | Pa×s | 513.62 | Calculated Property |
| η | 0.0001665 | Pa×s | 547.63 | Calculated Property |
| η | 0.0001210 | Pa×s | 581.65 | Calculated Property |
| η | 0.0000911 | Pa×s | 615.66 | Calculated Property |
| η | 0.0000706 | Pa×s | 649.67 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dec-2-yl 3-methylbut-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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