- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -297.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -886.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.91 | kJ/mol | Joback Calculated Property |
| log10WS | -5.51 | Crippen Calculated Property | |
| logPoct/wat | 5.038 | Crippen Calculated Property | |
| McVol | 299.910 | ml/mol | McGowan Calculated Property |
| Pc | 1326.17 | kPa | Joback Calculated Property |
| Inp | [2541.00; 2541.00] |
|
|
| Inp | 2541.00 | NIST | |
| Inp | 2541.00 | NIST | |
| Tboil | 863.66 | K | Joback Calculated Property |
| Tc | 1083.59 | K | Joback Calculated Property |
| Tfus | 483.69 | K | Joback Calculated Property |
| Vc | 1.113 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1028.74; 1125.83] | J/mol×K | [863.66; 1083.59] |
|
| Cp,gas | 1028.74 | J/mol×K | 863.66 | Joback Calculated Property |
| Cp,gas | 1049.24 | J/mol×K | 900.31 | Joback Calculated Property |
| Cp,gas | 1067.94 | J/mol×K | 936.97 | Joback Calculated Property |
| Cp,gas | 1084.90 | J/mol×K | 973.62 | Joback Calculated Property |
| Cp,gas | 1100.17 | J/mol×K | 1010.28 | Joback Calculated Property |
| Cp,gas | 1113.79 | J/mol×K | 1046.93 | Joback Calculated Property |
| Cp,gas | 1125.83 | J/mol×K | 1083.59 | Joback Calculated Property |
| η | [0.0000500; 0.0009749] | Pa×s | [483.69; 863.66] |
|
| η | 0.0009749 | Pa×s | 483.69 | Joback Calculated Property |
| η | 0.0004462 | Pa×s | 547.02 | Joback Calculated Property |
| η | 0.0002401 | Pa×s | 610.35 | Joback Calculated Property |
| η | 0.0001452 | Pa×s | 673.68 | Joback Calculated Property |
| η | 0.0000957 | Pa×s | 737.00 | Joback Calculated Property |
| η | 0.0000674 | Pa×s | 800.33 | Joback Calculated Property |
| η | 0.0000500 | Pa×s | 863.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, cyclohexylmethyl cis-4-tert-butylcyclohexyl ester.
Sources
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