- InChI
- InChI=1S/C24H36O5/c1-3-4-5-6-7-8-9-10-11-12-19-28-23(25)17-18-24(26)29-20-21-13-15-22(27-2)16-14-21/h11-16H,3-10,17-20H2,1-2H3/b12-11+
- InChI Key
- XQBQNZJGBSYWBL-VAWYXSNFSA-N
- Formula
- C24H36O5
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCC(=O)OCc1
ccc(OC)cc1 - Molecular Weight1
- 404.54
- 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).
- 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 |
|---|---|---|---|
| ΔfusH° | 61.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.759 | Crippen Calculated Property | |
| McVol | 341.710 | ml/mol | McGowan Calculated Property |
| Inp | [3075.00; 3075.00] |
|
|
| Inp | 3075.00 | NIST | |
| Inp | 3075.00 | NIST | |
| Tboil | 674.57 | K | Relay (1.0) Calculated Property |
| Tc | 874.73 | K | Relay (1.0) Calculated Property |
| Tfus | 290.46 | 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, 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 | [493.98; 1140.08] | 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 | 2.36020e+01 | |||
| Coefficient B | 1.99264e+00 | |||
| Coefficient C | -1.02956e-03 | |||
| Coefficient D | 1.53400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 493.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 606.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 707.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 798.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 878.08 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 948.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1009.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1060.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1104.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1140.08 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003476; 0.0000281] | Pa×s | [500.99; 792.07] |
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 | -1.48112e+01 | |||
| Coefficient B | 3.43021e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 500.99 | |||
| Temperature range, max. | 792.07 | |||
| η | 0.0003476 | Pa×s | 500.99 | Calculated Property |
| η | 0.0002295 | Pa×s | 533.33 | Calculated Property |
| η | 0.0001589 | Pa×s | 565.68 | Calculated Property |
| η | 0.0001145 | Pa×s | 598.02 | Calculated Property |
| η | 0.0000853 | Pa×s | 630.36 | Calculated Property |
| η | 0.0000654 | Pa×s | 662.70 | Calculated Property |
| η | 0.0000514 | Pa×s | 695.05 | Calculated Property |
| η | 0.0000413 | Pa×s | 727.39 | Calculated Property |
| η | 0.0000338 | Pa×s | 759.73 | Calculated Property |
| η | 0.0000281 | Pa×s | 792.07 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dodec-2-en-1-yl 4-methoxybenzyl 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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