- InChI
- InChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-19-26-22(24)17-18-23(25)27-21-15-13-20(2)14-16-21/h11-12,20-21H,3-10,13-19H2,1-2H3/b12-11+
- InChI Key
- GAJHXWHTRANSKR-QXMHVHEDSA-N
- Formula
- C23H40O4
- SMILES
-
CCCCCCCCC/C=C\COC(=O)CCC(=O)OC
1CCC(C)CC1 - Molecular Weight1
- 380.57
- 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° | 57.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.83 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.129 | Crippen Calculated Property | |
| McVol | 334.650 | ml/mol | McGowan Calculated Property |
| Inp | [2732.00; 2732.00] |
|
|
| Inp | 2732.00 | NIST | |
| Inp | 2732.00 | NIST | |
| Tboil | 646.06 | K | Relay (1.0) Calculated Property |
| Tc | 849.49 | K | Relay (1.0) Calculated Property |
| Tfus | 253.31 | 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 | [476.22; 1183.29] | 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 | -4.10490e+01 | |||
| Coefficient B | 2.19484e+00 | |||
| Coefficient C | -1.14760e-03 | |||
| Coefficient D | 1.77100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 476.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 599.65 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 710.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 809.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 897.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 973.73 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1040.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1096.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1144.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1183.29 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011218; 0.0000554] | Pa×s | [431.69; 741.42] |
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 | -1.39933e+01 | |||
| Coefficient B | 3.10838e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 431.69 | |||
| Temperature range, max. | 741.42 | |||
| η | 0.0011218 | Pa×s | 431.69 | Calculated Property |
| η | 0.0006592 | Pa×s | 466.10 | Calculated Property |
| η | 0.0004168 | Pa×s | 500.52 | Calculated Property |
| η | 0.0002795 | Pa×s | 534.93 | Calculated Property |
| η | 0.0001967 | Pa×s | 569.35 | Calculated Property |
| η | 0.0001441 | Pa×s | 603.76 | Calculated Property |
| η | 0.0001092 | Pa×s | 638.17 | Calculated Property |
| η | 0.0000851 | Pa×s | 672.59 | Calculated Property |
| η | 0.0000679 | Pa×s | 707.00 | Calculated Property |
| η | 0.0000554 | Pa×s | 741.42 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dodec-2-en-1-yl cis-4-methylcyclohexyl 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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