- InChI
- InChI=1S/C21H36O4/c1-21(2,3)17-9-11-18(12-10-17)25-20(23)14-13-19(22)24-15-16-7-5-4-6-8-16/h16-18H,4-15H2,1-3H3
- InChI Key
- QPYDTLBLTZOHGN-UHFFFAOYSA-N
- Formula
- C21H36O4
- SMILES
-
CC(C)(C)C1CCC(OC(=O)CCC(=O)OCC
2CCCCC2)CC1 - Molecular Weight1
- 352.51
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- 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.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1033.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.71 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.038 | Crippen Calculated Property | |
| McVol | 299.910 | ml/mol | McGowan Calculated Property |
| Inp | [2541.00; 2541.00] |
|
|
| Inp | 2541.00 | NIST | |
| Inp | 2541.00 | NIST | |
| Tfus | 338.92 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1011.76; 1112.58] | J/mol×K | [827.72; 1043.66] |
|
| Cp,gas | 1011.76 | J/mol×K | 827.72 | Joback Calculated Property |
| Cp,gas | 1033.06 | J/mol×K | 863.71 | Joback Calculated Property |
| Cp,gas | 1052.50 | J/mol×K | 899.70 | Joback Calculated Property |
| Cp,gas | 1070.12 | J/mol×K | 935.69 | Joback Calculated Property |
| Cp,gas | 1085.97 | J/mol×K | 971.68 | Joback Calculated Property |
| Cp,gas | 1100.11 | J/mol×K | 1007.67 | Joback Calculated Property |
| Cp,gas | 1112.58 | J/mol×K | 1043.66 | Joback Calculated Property |
| η | [0.0000392; 0.0017606] | Pa×s | [424.03; 827.72] |
|
| η | 0.0017606 | Pa×s | 424.03 | Joback Calculated Property |
| η | 0.0006048 | Pa×s | 491.31 | Joback Calculated Property |
| η | 0.0002687 | Pa×s | 558.59 | Joback Calculated Property |
| η | 0.0001422 | Pa×s | 625.88 | Joback Calculated Property |
| η | 0.0000851 | Pa×s | 693.16 | Joback Calculated Property |
| η | 0.0000558 | Pa×s | 760.44 | Joback Calculated Property |
| η | 0.0000392 | Pa×s | 827.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, cyclohexylmethyl cis-4-tert-butylcyclohexyl 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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