- InChI
- InChI=1S/C23H33ClO5/c1-3-4-5-6-7-8-9-10-11-12-17-28-22(25)15-16-23(26)29-20-14-13-19(24)18-21(20)27-2/h11-14,18H,3-10,15-17H2,1-2H3/b12-11+
- InChI Key
- XAGALQCDZFKKAF-VAWYXSNFSA-N
- Formula
- C23H33ClO5
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCC(=O)Oc1c
cc(Cl)cc1OC - Molecular Weight1
- 424.96
- 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° | 62.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.55 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.274 | Crippen Calculated Property | |
| McVol | 339.860 | ml/mol | McGowan Calculated Property |
| Inp | [3084.00; 3084.00] |
|
|
| Inp | 3084.00 | NIST | |
| Inp | 3084.00 | NIST | |
| Tboil | 673.71 | K | Relay (1.0) Calculated Property |
| Tc | 887.52 | K | Relay (1.0) Calculated Property |
| Tfus | 311.09 | 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 | [488.72; 1093.72] | 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 | 5.17010e+01 | |||
| Coefficient B | 1.84494e+00 | |||
| Coefficient C | -9.28520e-04 | |||
| Coefficient D | 1.25600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 488.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 593.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 688.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 773.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 848.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 914.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 971.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1019.87 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1060.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1093.72 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002565; 0.0000278] | Pa×s | [532.16; 808.96] |
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 | -1.47630e+01 | |||
| Coefficient B | 3.45611e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 532.16 | |||
| Temperature range, max. | 808.96 | |||
| η | 0.0002565 | Pa×s | 532.16 | Calculated Property |
| η | 0.0001799 | Pa×s | 562.92 | Calculated Property |
| η | 0.0001309 | Pa×s | 593.67 | Calculated Property |
| η | 0.0000982 | Pa×s | 624.43 | Calculated Property |
| η | 0.0000758 | Pa×s | 655.18 | Calculated Property |
| η | 0.0000598 | Pa×s | 685.94 | Calculated Property |
| η | 0.0000482 | Pa×s | 716.69 | Calculated Property |
| η | 0.0000395 | Pa×s | 747.45 | Calculated Property |
| η | 0.0000329 | Pa×s | 778.20 | Calculated Property |
| η | 0.0000278 | Pa×s | 808.96 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dodec-2-en-1-yl 4-chloro-2-methoxyphenyl 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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