- InChI
- InChI=1S/C21H36O4/c1-3-5-6-7-8-9-10-11-14-17-25-21(23)19-16-13-12-15-18(19)20(22)24-4-2/h12-13,18-19H,3-11,14-17H2,1-2H3
- InChI Key
- METHQUDQVSRNCO-UHFFFAOYSA-N
- Formula
- C21H36O4
- SMILES
-
CCCCCCCCCCCOC(=O)C1CC=CCC1C(=O
)OCC - 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° | -295.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -874.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.06 | kJ/mol | Joback Calculated Property |
| log10WS | -5.60 | Crippen Calculated Property | |
| logPoct/wat | 5.206 | Crippen Calculated Property | |
| McVol | 306.470 | ml/mol | McGowan Calculated Property |
| Pc | 1161.66 | kPa | Joback Calculated Property |
| Inp | [2414.00; 2414.00] |
|
|
| Inp | 2414.00 | NIST | |
| Inp | 2414.00 | NIST | |
| Tboil | 846.50 | K | Joback Calculated Property |
| Tc | 1043.73 | K | Joback Calculated Property |
| Tfus | 474.65 | K | Joback Calculated Property |
| Vc | 1.177 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1002.48; 1094.68] | J/mol×K | [846.50; 1043.73] |
|
| Cp,gas | 1002.48 | J/mol×K | 846.50 | Joback Calculated Property |
| Cp,gas | 1021.11 | J/mol×K | 879.37 | Joback Calculated Property |
| Cp,gas | 1038.41 | J/mol×K | 912.24 | Joback Calculated Property |
| Cp,gas | 1054.39 | J/mol×K | 945.12 | Joback Calculated Property |
| Cp,gas | 1069.09 | J/mol×K | 977.99 | Joback Calculated Property |
| Cp,gas | 1082.51 | J/mol×K | 1010.86 | Joback Calculated Property |
| Cp,gas | 1094.68 | J/mol×K | 1043.73 | Joback Calculated Property |
| η | [0.0000664; 0.0008903] | Pa×s | [474.65; 846.50] |
|
| η | 0.0008903 | Pa×s | 474.65 | Joback Calculated Property |
| η | 0.0004499 | Pa×s | 536.62 | Joback Calculated Property |
| η | 0.0002619 | Pa×s | 598.60 | Joback Calculated Property |
| η | 0.0001687 | Pa×s | 660.58 | Joback Calculated Property |
| η | 0.0001172 | Pa×s | 722.55 | Joback Calculated Property |
| η | 0.0000862 | Pa×s | 784.52 | Joback Calculated Property |
| η | 0.0000664 | Pa×s | 846.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, ethyl undecyl ester.
Sources
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