- InChI
- InChI=1S/C24H36O5/c1-4-5-6-7-8-9-10-11-12-13-18-28-23(25)16-17-24(26)29-22-19-20(2)14-15-21(22)27-3/h12-15,19H,4-11,16-18H2,1-3H3/b13-12+
- InChI Key
- MUXCHUFIFMSGES-OUKQBFOZSA-N
- Formula
- C24H36O5
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCC(=O)Oc1c
c(C)ccc1OC - 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).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 61.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.31 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.929 | Crippen Calculated Property | |
| McVol | 341.710 | ml/mol | McGowan Calculated Property |
| Inp | [2978.00; 2978.00] |
|
|
| Inp | 2978.00 | NIST | |
| Inp | 2978.00 | NIST | |
| Tboil | 670.62 | K | Relay (1.0) Calculated Property |
| Tc | 878.70 | K | Relay (1.0) Calculated Property |
| Tfus | 308.24 | 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 | [496.53; 1137.04] | 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 | 3.79010e+01 | |||
| Coefficient B | 1.93316e+00 | |||
| Coefficient C | -9.62520e-04 | |||
| Coefficient D | 1.28500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 496.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 607.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 706.75 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 796.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 875.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 945.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1005.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1057.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1101.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1137.04 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002925; 0.0000283] | Pa×s | [513.51; 796.28] |
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 | -1.47172e+01 | |||
| Coefficient B | 3.37895e+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. | 513.51 | |||
| Temperature range, max. | 796.28 | |||
| η | 0.0002925 | Pa×s | 513.51 | Calculated Property |
| η | 0.0002001 | Pa×s | 544.93 | Calculated Property |
| η | 0.0001427 | Pa×s | 576.35 | Calculated Property |
| η | 0.0001054 | Pa×s | 607.77 | Calculated Property |
| η | 0.0000802 | Pa×s | 639.18 | Calculated Property |
| η | 0.0000626 | Pa×s | 670.60 | Calculated Property |
| η | 0.0000500 | Pa×s | 702.02 | Calculated Property |
| η | 0.0000407 | Pa×s | 733.44 | Calculated Property |
| η | 0.0000337 | Pa×s | 764.86 | Calculated Property |
| η | 0.0000283 | Pa×s | 796.28 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dodec-2-en-1-yl 2-methoxy-5-methylphenyl 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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