- InChI
- InChI=1S/C22H42O5/c1-6-7-11-20(14-15-25-5)17-26-21(23)12-9-8-10-13-22(24)27-19(4)16-18(2)3/h18-20H,6-17H2,1-5H3
- InChI Key
- FXRRPNHJXFGQPI-UHFFFAOYSA-N
- Formula
- C22H42O5
- SMILES
-
CCCCC(CCOC)COC(=O)CCCCCC(=O)OC
(C)CC(C)C - Molecular Weight1
- 386.57
- 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° | -445.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1135.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.12 | kJ/mol | Joback Calculated Property |
| log10WS | -5.47 | Crippen Calculated Property | |
| logPoct/wat | 5.301 | Crippen Calculated Property | |
| McVol | 341.590 | ml/mol | McGowan Calculated Property |
| Pc | 957.91 | kPa | Joback Calculated Property |
| Inp | [2422.00; 2422.00] |
|
|
| Inp | 2422.00 | NIST | |
| Inp | 2422.00 | NIST | |
| Tboil | 876.44 | K | Joback Calculated Property |
| Tc | 1073.13 | K | Joback Calculated Property |
| Tfus | 459.25 | K | Joback Calculated Property |
| Vc | 1.315 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1125.46; 1218.52] | J/mol×K | [876.44; 1073.13] |
|
| Cp,gas | 1125.46 | J/mol×K | 876.44 | Joback Calculated Property |
| Cp,gas | 1144.31 | J/mol×K | 909.22 | Joback Calculated Property |
| Cp,gas | 1161.81 | J/mol×K | 942.00 | Joback Calculated Property |
| Cp,gas | 1177.96 | J/mol×K | 974.78 | Joback Calculated Property |
| Cp,gas | 1192.79 | J/mol×K | 1007.57 | Joback Calculated Property |
| Cp,gas | 1206.30 | J/mol×K | 1040.35 | Joback Calculated Property |
| Cp,gas | 1218.52 | J/mol×K | 1073.13 | Joback Calculated Property |
| η | [0.0000226; 0.0007308] | Pa×s | [459.25; 876.44] |
|
| η | 0.0007308 | Pa×s | 459.25 | Joback Calculated Property |
| η | 0.0002797 | Pa×s | 528.78 | Joback Calculated Property |
| η | 0.0001338 | Pa×s | 598.31 | Joback Calculated Property |
| η | 0.0000747 | Pa×s | 667.85 | Joback Calculated Property |
| η | 0.0000465 | Pa×s | 737.38 | Joback Calculated Property |
| η | 0.0000314 | Pa×s | 806.91 | Joback Calculated Property |
| η | 0.0000226 | Pa×s | 876.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-methyl-2-pentyl 2-(2-methoxyethyl)hexyl ester.
Sources
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