- InChI
- InChI=1S/C21H40O5/c1-4-6-11-16-25-20(22)13-9-8-10-14-21(23)26-18-19(12-7-5-2)15-17-24-3/h19H,4-18H2,1-3H3
- InChI Key
- MMYCXCDQZWWOPC-UHFFFAOYSA-N
- Formula
- C21H40O5
- SMILES
-
CCCCCOC(=O)CCCCCC(=O)OCC(CCCC)
CCOC - Molecular Weight1
- 372.54
- 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° | -449.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1103.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.67 | kJ/mol | Joback Calculated Property |
| log10WS | -5.18 | Crippen Calculated Property | |
| logPoct/wat | 5.056 | Crippen Calculated Property | |
| McVol | 327.500 | ml/mol | McGowan Calculated Property |
| Pc | 1007.17 | kPa | Joback Calculated Property |
| Inp | [2463.00; 2463.00] |
|
|
| Inp | 2463.00 | NIST | |
| Inp | 2463.00 | NIST | |
| Tboil | 854.44 | K | Joback Calculated Property |
| Tc | 1046.32 | K | Joback Calculated Property |
| Tfus | 477.98 | K | Joback Calculated Property |
| Vc | 1.272 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1062.62; 1155.19] | J/mol×K | [854.44; 1046.32] |
|
| Cp,gas | 1062.62 | J/mol×K | 854.44 | Joback Calculated Property |
| Cp,gas | 1081.09 | J/mol×K | 886.42 | Joback Calculated Property |
| Cp,gas | 1098.34 | J/mol×K | 918.40 | Joback Calculated Property |
| Cp,gas | 1114.36 | J/mol×K | 950.38 | Joback Calculated Property |
| Cp,gas | 1129.16 | J/mol×K | 982.36 | Joback Calculated Property |
| Cp,gas | 1142.77 | J/mol×K | 1014.34 | Joback Calculated Property |
| Cp,gas | 1155.19 | J/mol×K | 1046.32 | Joback Calculated Property |
| η | [0.0000314; 0.0005916] | Pa×s | [477.98; 854.44] |
|
| η | 0.0005916 | Pa×s | 477.98 | Joback Calculated Property |
| η | 0.0002731 | Pa×s | 540.72 | Joback Calculated Property |
| η | 0.0001480 | Pa×s | 603.47 | Joback Calculated Property |
| η | 0.0000901 | Pa×s | 666.21 | Joback Calculated Property |
| η | 0.0000597 | Pa×s | 728.95 | Joback Calculated Property |
| η | 0.0000422 | Pa×s | 791.70 | Joback Calculated Property |
| η | 0.0000314 | Pa×s | 854.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 2-(2-methoxyethyl)hexyl pentyl ester.
Sources
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