- InChI
- InChI=1S/C20H38O4/c1-7-8-9-10-11-12-13-16(2)23-18(21)14-15-19(22)24-17(3)20(4,5)6/h16-17H,7-15H2,1-6H3
- InChI Key
- GBYWNHIQHGOSIA-UHFFFAOYSA-N
- Formula
- C20H38O4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCC(=O)OC(C)
C(C)(C)C - Molecular Weight1
- 342.51
- 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 | -1112.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.427 | Crippen Calculated Property | |
| McVol | 307.540 | ml/mol | McGowan Calculated Property |
| Inp | [2111.00; 2111.00] |
|
|
| Inp | 2111.00 | NIST | |
| Inp | 2111.00 | NIST | |
| Tboil | 584.06 | K | Relay (1.0) Calculated Property |
| Tc | 770.21 | K | Relay (1.0) Calculated Property |
| Tfus | 279.37 | 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 | [460.34; 1069.91] | 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 | 7.68900e+00 | |||
| Coefficient B | 1.93192e+00 | |||
| Coefficient C | -1.05320e-03 | |||
| Coefficient D | 1.83500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 460.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 567.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 663.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 748.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 823.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 889.74 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 946.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 995.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1036.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1069.91 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0027801; 0.0000562] | Pa×s | [372.24; 666.40] |
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 | -1.47217e+01 | |||
| Coefficient B | 3.28926e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 372.24 | |||
| Temperature range, max. | 666.40 | |||
| η | 0.0027801 | Pa×s | 372.24 | Calculated Property |
| η | 0.0013624 | Pa×s | 404.92 | Calculated Property |
| η | 0.0007427 | Pa×s | 437.61 | Calculated Property |
| η | 0.0004405 | Pa×s | 470.29 | Calculated Property |
| η | 0.0002796 | Pa×s | 502.98 | Calculated Property |
| η | 0.0001876 | Pa×s | 535.66 | Calculated Property |
| η | 0.0001318 | Pa×s | 568.35 | Calculated Property |
| η | 0.0000962 | Pa×s | 601.03 | Calculated Property |
| η | 0.0000725 | Pa×s | 633.72 | Calculated Property |
| η | 0.0000562 | Pa×s | 666.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dec-2-yl 3,3-dimethylbut-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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