- InChI
- InChI=1S/C24H44O4/c1-4-7-9-10-11-12-13-14-15-16-21-27-23(25)19-20-24(26)28-22(17-6-3)18-8-5-2/h15-16,22H,4-14,17-21H2,1-3H3/b16-15+
- InChI Key
- HHHYMQQKQLHHKA-FOCLMDBBSA-N
- Formula
- C24H44O4
- SMILES
-
CCCCCCCCC/C=C/COC(=O)CCC(=O)OC
(CCC)CCCC - Molecular Weight1
- 396.61
- 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° | 63.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.97 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.909 | Crippen Calculated Property | |
| McVol | 359.600 | ml/mol | McGowan Calculated Property |
| Inp | [2635.00; 2635.00] |
|
|
| Inp | 2635.00 | NIST | |
| Inp | 2635.00 | NIST | |
| Tboil | 628.74 | K | Relay (1.0) Calculated Property |
| Tc | 815.80 | K | Relay (1.0) Calculated Property |
| Tfus | 244.91 | 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 | [532.97; 1243.69] | 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 | 1.60260e+01 | |||
| Coefficient B | 2.20016e+00 | |||
| Coefficient C | -1.17960e-03 | |||
| Coefficient D | 2.07100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 532.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 655.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 766.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 864.92 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 952.27 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1029.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1095.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1153.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1202.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1243.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010375; 0.0000346] | Pa×s | [424.82; 744.63] |
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 | -1.47890e+01 | |||
| Coefficient B | 3.36378e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 424.82 | |||
| Temperature range, max. | 744.63 | |||
| η | 0.0010375 | Pa×s | 424.82 | Calculated Property |
| η | 0.0005631 | Pa×s | 460.35 | Calculated Property |
| η | 0.0003336 | Pa×s | 495.89 | Calculated Property |
| η | 0.0002119 | Pa×s | 531.42 | Calculated Property |
| η | 0.0001425 | Pa×s | 566.96 | Calculated Property |
| η | 0.0001004 | Pa×s | 602.49 | Calculated Property |
| η | 0.0000736 | Pa×s | 638.02 | Calculated Property |
| η | 0.0000557 | Pa×s | 673.56 | Calculated Property |
| η | 0.0000434 | Pa×s | 709.09 | Calculated Property |
| η | 0.0000346 | Pa×s | 744.63 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dodec-2-en-1-yl 4-octyl 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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