- InChI
- InChI=1S/C21H40O4/c1-7-11-16(5)18(10-4)24-20(22)14-15-21(23)25-19(13-9-3)17(6)12-8-2/h16-19H,7-15H2,1-6H3
- InChI Key
- YKVSIRQKAOPYIK-UHFFFAOYSA-N
- Formula
- C21H40O4
- SMILES
-
CCCC(C)C(CC)OC(=O)CCC(=O)OC(CC
C)C(C)CCC - Molecular Weight1
- 356.54
- 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 | -1124.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.80 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.673 | Crippen Calculated Property | |
| McVol | 321.630 | ml/mol | McGowan Calculated Property |
| Inp | [2058.00; 2058.00] |
|
|
| Inp | 2058.00 | NIST | |
| Inp | 2058.00 | NIST | |
| Tboil | 601.58 | 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 | [482.39; 1121.11] | 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 | 2.78890e+01 | |||
| Coefficient B | 1.91292e+00 | |||
| Coefficient C | -9.42200e-04 | |||
| Coefficient D | 1.22500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 482.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 592.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 691.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 780.23 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 859.34 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 929.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 989.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1041.61 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1085.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1121.11 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0043079; 0.0000495] | Pa×s | [351.09; 684.76] |
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 | -1.46145e+01 | |||
| Coefficient B | 3.21852e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 351.09 | |||
| Temperature range, max. | 684.76 | |||
| η | 0.0043079 | Pa×s | 351.09 | Calculated Property |
| η | 0.0017948 | Pa×s | 388.16 | Calculated Property |
| η | 0.0008711 | Pa×s | 425.24 | Calculated Property |
| η | 0.0004747 | Pa×s | 462.31 | Calculated Property |
| η | 0.0002831 | Pa×s | 499.39 | Calculated Property |
| η | 0.0001814 | Pa×s | 536.46 | Calculated Property |
| η | 0.0001231 | Pa×s | 573.54 | Calculated Property |
| η | 0.0000875 | Pa×s | 610.61 | Calculated Property |
| η | 0.0000647 | Pa×s | 647.68 | Calculated Property |
| η | 0.0000495 | Pa×s | 684.76 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, di(4-methylhept-3-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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