- InChI
- InChI=1S/C21H38O4/c1-3-4-5-6-7-9-12-18(2)25-21(23)16-15-20(22)24-17-19-13-10-8-11-14-19/h18-19H,3-17H2,1-2H3
- InChI Key
- KWXGRCXXBPEPRK-UHFFFAOYSA-N
- Formula
- C21H38O4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCC(=O)OCC1C
CCCC1 - Molecular Weight1
- 354.53
- 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.
- 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 |
|---|---|---|---|
| ΔfH°gas | -1070.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.93 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.572 | Crippen Calculated Property | |
| McVol | 310.770 | ml/mol | McGowan Calculated Property |
| Inp | [2461.00; 2461.00] |
|
|
| Inp | 2461.00 | NIST | |
| Inp | 2461.00 | NIST | |
| Tboil | 641.41 | K | Relay (1.0) Calculated Property |
| Tc | 830.55 | K | Relay (1.0) Calculated Property |
| Tfus | 272.53 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [1010.84; 1107.91] | J/mol×K | [815.63; 1008.67] |
|
| Cp,gas | 1010.84 | J/mol×K | 815.63 | Joback Calculated Property |
| Cp,gas | 1030.42 | J/mol×K | 847.80 | Joback Calculated Property |
| Cp,gas | 1048.60 | J/mol×K | 879.98 | Joback Calculated Property |
| Cp,gas | 1065.42 | J/mol×K | 912.15 | Joback Calculated Property |
| Cp,gas | 1080.89 | J/mol×K | 944.33 | Joback Calculated Property |
| Cp,gas | 1095.05 | J/mol×K | 976.50 | Joback Calculated Property |
| Cp,gas | 1107.91 | J/mol×K | 1008.67 | Joback Calculated Property |
| η | [0.0000342; 0.0019512] | Pa×s | [403.47; 815.63] |
|
| η | 0.0019512 | Pa×s | 403.47 | Joback Calculated Property |
| η | 0.0006090 | Pa×s | 472.16 | Joback Calculated Property |
| η | 0.0002555 | Pa×s | 540.86 | Joback Calculated Property |
| η | 0.0001303 | Pa×s | 609.55 | Joback Calculated Property |
| η | 0.0000762 | Pa×s | 678.24 | Joback Calculated Property |
| η | 0.0000492 | Pa×s | 746.94 | Joback Calculated Property |
| η | 0.0000342 | Pa×s | 815.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, cyclohexylmethyl 2-decyl 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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