- InChI
- InChI=1S/C22H40O4/c1-5-6-7-8-9-10-11-12-13-14-17-25-21(23)15-16-22(24)26-20(4)18-19(2)3/h13-14,19-20H,5-12,15-18H2,1-4H3/b14-13+
- InChI Key
- CBBRFKFUURNSBR-BUHFOSPRSA-N
- Formula
- C22H40O4
- SMILES
-
CCCCCCCCC/C=C/COC(=O)CCC(=O)OC
(C)CC(C)C - Molecular Weight1
- 368.56
- 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).
- 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 | -1033.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.82 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.985 | Crippen Calculated Property | |
| McVol | 331.420 | ml/mol | McGowan Calculated Property |
| Inp | [2420.00; 2420.00] |
|
|
| Inp | 2420.00 | NIST | |
| Inp | 2420.00 | NIST | |
| Tboil | 609.17 | K | Relay (1.0) Calculated Property |
| Tc | 793.35 | K | Relay (1.0) Calculated Property |
| Tfus | 255.11 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [490.23; 1141.04] | 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 | 1.61620e+01 | |||
| Coefficient B | 2.01608e+00 | |||
| Coefficient C | -1.07400e-03 | |||
| Coefficient D | 1.82800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 490.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 603.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 704.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 794.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 875.05 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 945.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1006.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1059.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1103.87 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1141.04 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018338; 0.0000431] | Pa×s | [387.28; 706.75] |
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 | -1.45984e+01 | |||
| Coefficient B | 3.21328e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 387.28 | |||
| Temperature range, max. | 706.75 | |||
| η | 0.0018338 | Pa×s | 387.28 | Calculated Property |
| η | 0.0009137 | Pa×s | 422.78 | Calculated Property |
| η | 0.0005072 | Pa×s | 458.27 | Calculated Property |
| η | 0.0003064 | Pa×s | 493.77 | Calculated Property |
| η | 0.0001980 | Pa×s | 529.27 | Calculated Property |
| η | 0.0001352 | Pa×s | 564.76 | Calculated Property |
| η | 0.0000966 | Pa×s | 600.26 | Calculated Property |
| η | 0.0000716 | Pa×s | 635.75 | Calculated Property |
| η | 0.0000548 | Pa×s | 671.25 | Calculated Property |
| η | 0.0000431 | Pa×s | 706.75 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dodec-2-en-1-yl 4-methylpent-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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