- InChI
- InChI=1S/C22H40O4/c1-4-7-8-9-10-11-12-13-14-15-19-25-21(23)17-18-22(24)26-20(6-3)16-5-2/h14-15,20H,4-13,16-19H2,1-3H3/b15-14+
- InChI Key
- QHKZOONURAAYTF-CCEZHUSRSA-N
- Formula
- C22H40O4
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCC(=O)OC(C
C)CCC - Molecular Weight1
- 368.55
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 |
|---|---|---|---|
| ΔfusH° | 58.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.55 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.129 | Crippen Calculated Property | |
| McVol | 331.420 | ml/mol | McGowan Calculated Property |
| Inp | [2489.00; 2489.00] |
|
|
| Inp | 2489.00 | NIST | |
| Inp | 2489.00 | NIST | |
| Tboil | 618.13 | K | Relay (1.0) Calculated Property |
| Tc | 799.50 | K | Relay (1.0) Calculated Property |
| Tfus | 243.54 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [490.54; 1140.50] | 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 | 1.78440e+01 | |||
| Coefficient B | 2.01016e+00 | |||
| Coefficient C | -1.07080e-03 | |||
| Coefficient D | 1.83300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 490.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 603.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 704.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 794.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 874.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 944.73 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1005.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1058.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1103.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1140.50 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014008; 0.0000468] | Pa×s | [402.28; 706.61] |
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 | -1.44644e+01 | |||
| Coefficient B | 3.17546e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 402.28 | |||
| Temperature range, max. | 706.61 | |||
| η | 0.0014008 | Pa×s | 402.28 | Calculated Property |
| η | 0.0007595 | Pa×s | 436.09 | Calculated Property |
| η | 0.0004498 | Pa×s | 469.91 | Calculated Property |
| η | 0.0002857 | Pa×s | 503.72 | Calculated Property |
| η | 0.0001922 | Pa×s | 537.54 | Calculated Property |
| η | 0.0001355 | Pa×s | 571.35 | Calculated Property |
| η | 0.0000993 | Pa×s | 605.17 | Calculated Property |
| η | 0.0000752 | Pa×s | 638.98 | Calculated Property |
| η | 0.0000586 | Pa×s | 672.79 | Calculated Property |
| η | 0.0000468 | Pa×s | 706.61 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dodec-2-en-1-yl 3-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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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